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

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 194.3
[M+Na]+ 361.30770 195.3
[M-H]- 337.31120 192.4
[M+NH4]+ 356.35230 208.2
[M+K]+ 377.28164 193.0
[M+H-H2O]+ 321.31574 188.2
[M+HCOO]- 383.31668 208.3
[M+CH3COO]- 397.33233 220.2
[M+Na-2H]- 359.29315 189.0
[M]+ 338.31793 200.2
[M]- 338.31903 200.2
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