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
1
Annotation Hits

0
References

19
Patents

338.31848 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.32576 192.2
[M+Na]+ 361.30770 198.1
[M+NH4]+ 356.35230 196.6
[M+K]+ 377.28164 192.8
[M-H]- 337.31120 189.2
[M+Na-2H]- 359.29315 190.7
[M]+ 338.31793 191.9
[M]- 338.31903 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe