CID 12960857

11z-heptadecenyl acetate

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCC/C=C\CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h7-8H,3-6,9-18H2,1-2H3/b8-7-
InChIKey
RTVWBTSCOISEJT-FPLPWBNLSA-N
Compound name
[(Z)-heptadec-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

296.27155 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 182.1
[M+Na]+ 319.26077 184.5
[M-H]- 295.26427 180.2
[M+NH4]+ 314.30537 197.7
[M+K]+ 335.23471 181.1
[M+H-H2O]+ 279.26881 175.3
[M+HCOO]- 341.26975 201.6
[M+CH3COO]- 355.28540 208.0
[M+Na-2H]- 317.24622 181.1
[M]+ 296.27100 189.1
[M]- 296.27210 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe