PubChemLite - 53282-28-3 (C33H38P)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C

InChI

InChI=1S/C33H38P/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-24H,14-15,25-26H2,1-4H3/q+1/b23-22+,27-24+

InChIKey

UJUZVVSRNMBGRO-RIPLDZIISA-N

Compound name

[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	466.27840	230.0
[M+Na]+	488.26034	231.0
[M-H]-	464.26384	239.0
[M+NH4]+	483.30494	238.8
[M+K]+	504.23428	217.1
[M+H-H2O]+	448.26838	218.0
[M+HCOO]-	510.26932	249.1
[M+CH3COO]-	524.28497	231.0
[M+Na-2H]-	486.24579	226.8
[M]+	465.27057	224.6
[M]-	465.27167	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.27840

230.0

[M+Na]+

488.26034

231.0

[M-H]-

464.26384

239.0

[M+NH4]+

483.30494

238.8

[M+K]+

504.23428

217.1

[M+H-H2O]+

448.26838

218.0

[M+HCOO]-

510.26932

249.1

[M+CH3COO]-

524.28497

231.0

[M+Na-2H]-

486.24579

226.8

[M]+

465.27057

224.6

[M]-

465.27167

224.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

53282-28-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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