CID 5312513

Cis-10-nonadecenoic acid

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCC/C=C\CCCCCCCCC(=O)O
InChI
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-
InChIKey
BBOWBNGUEWHNQZ-KTKRTIGZSA-N
Compound name
(Z)-nonadec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

92
Patents

296.27155 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.278826 182.3
[M+Na]+ 319.260768 184.1
[M-H]- 295.264274 178.9
[M+NH4]+ 314.305373 197.1
[M+K]+ 335.234708 179.8
[M+H-H2O]+ 279.268810 175.7
[M+HCOO]- 341.269751 200.2
[M+CH3COO]- 355.285401 206.0
[M+Na-2H]- 317.246216 180.7
[M]+ 296.27100142 187.4
[M]- 296.27209858 187.4
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