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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.