CID 5364711

34010-21-4

Structural Information

Molecular Formula
C18H34O2
SMILES
CCCC/C=C\CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6-
InChIKey
BTKXLQSCEOHKTF-SREVYHEPSA-N
Compound name
[(Z)-hexadec-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

3090
Patents

282.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 177.6
[M+Na]+ 305.24512 180.4
[M-H]- 281.24862 175.9
[M+NH4]+ 300.28972 193.8
[M+K]+ 321.21906 177.2
[M+H-H2O]+ 265.25316 171.0
[M+HCOO]- 327.25410 197.4
[M+CH3COO]- 341.26975 205.0
[M+Na-2H]- 303.23057 177.1
[M]+ 282.25535 184.2
[M]- 282.25645 184.2
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