CID 6431470

3z-hexadecenyl acetate

Structural Information

Molecular Formula
C18H34O2
SMILES
CCCCCCCCCCCC/C=C\CCOC(=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/h14-15H,3-13,16-17H2,1-2H3/b15-14-
InChIKey
NJOIVGUNXAPULH-PFONDFGASA-N
Compound name
[(Z)-hexadec-3-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

282.2559 Da
Monoisotopic Mass

7.3
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

No literature data available for this compound.

Patent stripe

patents stripe