CID 73994977

1235509-04-2

Structural Information

Molecular Formula

C₁₆H₂₈NP

SMILES

CC(C)(C)P(C1=CC=C(C=C1)CNC)C(C)(C)C

InChI

InChI=1S/C16H28NP/c1-15(2,3)18(16(4,5)6)14-10-8-13(9-11-14)12-17-7/h8-11,17H,12H2,1-7H3

InChIKey

SBPVJYJEIJRJCN-UHFFFAOYSA-N

Compound name

1-(4-ditert-butylphosphanylphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.19592 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

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]+	266.20320	172.6
[M+Na]+	288.18514	177.4
[M-H]-	264.18864	174.6
[M+NH4]+	283.22974	190.1
[M+K]+	304.15908	175.0
[M+H-H2O]+	248.19318	164.5
[M+HCOO]-	310.19412	196.7
[M+CH3COO]-	324.20977	205.8
[M+Na-2H]-	286.17059	172.9
[M]+	265.19537	174.3
[M]-	265.19647	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe