CID 171120749

Oleraceacid a

Structural Information

Molecular Formula
C15H24O2
SMILES
CC/C=C/C/C=C/C=C/CCCCCC(=O)O
InChI
InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h3-4,6-9H,2,5,10-14H2,1H3,(H,16,17)/b4-3+,7-6+,9-8+
InChIKey
WRCWZQOTAJVLSU-SIRUGEDZSA-N
Compound name
(7E,9E,12E)-pentadeca-7,9,12-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 161.4
[M+Na]+ 259.16685 165.7
[M-H]- 235.17035 158.9
[M+NH4]+ 254.21145 178.6
[M+K]+ 275.14079 161.2
[M+H-H2O]+ 219.17489 155.8
[M+HCOO]- 281.17583 181.1
[M+CH3COO]- 295.19148 190.9
[M+Na-2H]- 257.15230 162.1
[M]+ 236.17708 163.4
[M]- 236.17818 163.4
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.