CID 57411980

(z)-9-tridecenoic acid

Structural Information

Molecular Formula
C13H24O2
SMILES
CCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h4-5H,2-3,6-12H2,1H3,(H,14,15)/b5-4-
InChIKey
KIWIPIAOWPKUNM-PLNGDYQASA-N
Compound name
(Z)-tridec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

212.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 155.3
[M+Na]+ 235.16685 159.7
[M-H]- 211.17035 153.0
[M+NH4]+ 230.21145 173.5
[M+K]+ 251.14079 156.9
[M+H-H2O]+ 195.17489 149.9
[M+HCOO]- 257.17583 175.2
[M+CH3COO]- 271.19148 188.0
[M+Na-2H]- 233.15230 156.9
[M]+ 212.17708 158.1
[M]- 212.17818 158.1
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