CID 54493784

Pentadeca-2,4-dienoic acid

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCCCCCCCC=CC=CC(=O)O
InChI
InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKey
XXQINHWMBIXTGY-UHFFFAOYSA-N
Compound name
pentadeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

238.19328 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 162.9
[M+Na]+ 261.18250 166.8
[M-H]- 237.18600 160.3
[M+NH4]+ 256.22710 180.1
[M+K]+ 277.15644 162.9
[M+H-H2O]+ 221.19054 157.2
[M+HCOO]- 283.19148 182.4
[M+CH3COO]- 297.20713 192.5
[M+Na-2H]- 259.16795 163.5
[M]+ 238.19273 165.7
[M]- 238.19383 165.7
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