CID 94042

58425-36-8

Structural Information

Molecular Formula

C₂₂H₄₂O₂

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)OC(=O)C

InChI

InChI=1S/C22H42O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3

InChIKey

GKWIQRXSJFOVGL-UHFFFAOYSA-N

Compound name

3,7,11,15-tetramethylhexadec-1-en-3-yl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30
Patents: 338.31848 Da
Monoisotopic Mass: 8.4
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]+	339.325756	194.3
[M+Na]+	361.307698	195.3
[M-H]-	337.311204	192.4
[M+NH4]+	356.352303	208.2
[M+K]+	377.281638	193.0
[M+H-H2O]+	321.315740	188.2
[M+HCOO]-	383.316681	208.3
[M+CH3COO]-	397.332331	220.2
[M+Na-2H]-	359.293146	189.0
[M]+	338.31793142	200.2
[M]-	338.31902858	200.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe