CID 6436624

Ethyl palmitoleate

Structural Information

Molecular Formula
C18H34O2
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OCC
InChI
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9-
InChIKey
JELGPLUONQGOHF-KTKRTIGZSA-N
Compound name
ethyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

573
Patents

282.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.263176 177.6
[M+Na]+ 305.245118 180.4
[M-H]- 281.248624 175.9
[M+NH4]+ 300.289723 193.8
[M+K]+ 321.219058 177.2
[M+H-H2O]+ 265.253160 171.0
[M+HCOO]- 327.254101 197.4
[M+CH3COO]- 341.269751 205.0
[M+Na-2H]- 303.230566 177.1
[M]+ 282.25535142 184.2
[M]- 282.25644858 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