CID 19047235

Pentadecadienoic acid

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCCCCCCC/C=C/C=C/C(=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)/b12-11+,14-13+
InChIKey
XXQINHWMBIXTGY-LDHFCIDVSA-N
Compound name
(2E,4E)-pentadeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

238.19328 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 162.9
[M+Na]+ 261.182498 166.8
[M-H]- 237.186004 160.3
[M+NH4]+ 256.227103 180.1
[M+K]+ 277.156438 162.9
[M+H-H2O]+ 221.190540 157.2
[M+HCOO]- 283.191481 182.4
[M+CH3COO]- 297.207131 192.5
[M+Na-2H]- 259.167946 163.5
[M]+ 238.19273142 165.7
[M]- 238.19382858 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