PubChemLite - 70146-06-4 (C31H40O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OCC(C)OC(=O)C(=C)C)C)OCC(C)OC(=O)C(=C)C

InChI

InChI=1S/C31H40O6/c1-19(2)29(32)36-23(7)17-34-27-13-11-25(15-21(27)5)31(9,10)26-12-14-28(22(6)16-26)35-18-24(8)37-30(33)20(3)4/h11-16,23-24H,1,3,17-18H2,2,4-10H3

InChIKey

CUUNNZSQCNASCH-UHFFFAOYSA-N

Compound name

1-[2-methyl-4-[2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl 2-methylprop-2-enoate

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]+	509.28978	221.8
[M+Na]+	531.27172	230.4
[M+NH4]+	526.31632	224.0
[M+K]+	547.24566	227.2
[M-H]-	507.27522	221.6
[M+Na-2H]-	529.25717	223.7
[M]+	508.28195	222.7
[M]-	508.28305	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.28978

221.8

[M+Na]+

531.27172

230.4

[M+NH4]+

526.31632

224.0

[M+K]+

547.24566

227.2

[M-H]-

507.27522

221.6

[M+Na-2H]-

529.25717

223.7

[M]+

508.28195

222.7

[M]-

508.28305

222.7

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

70146-06-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe