CID 445639

Oleic acid

Structural Information

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

2D Structure

compound 2d structure
11
Annotation Hits

10894
References

401060
Patents

282.2559 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 177.9
[M+Na]+ 305.24512 180.1
[M-H]- 281.24862 174.6
[M+NH4]+ 300.28972 193.2
[M+K]+ 321.21906 176.0
[M+H-H2O]+ 265.25316 171.4
[M+HCOO]- 327.25410 196.1
[M+CH3COO]- 341.26975 203.0
[M+Na-2H]- 303.23057 176.8
[M]+ 282.25535 182.6
[M]- 282.25645 182.6
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

No patent data available for this compound.