CID 165415616

Fa 14:2

Structural Information

Molecular Formula
C14H24O2
SMILES
C/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,5-6H,4,7-13H2,1H3,(H,15,16)/b3-2-,6-5-
InChIKey
DORVNZNCUHRYJQ-QFBDUHRLSA-N
Compound name
(9Z,12Z)-tetradeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 158.4
[M+Na]+ 247.16685 162.7
[M-H]- 223.17035 156.0
[M+NH4]+ 242.21145 176.1
[M+K]+ 263.14079 159.0
[M+H-H2O]+ 207.17489 152.9
[M+HCOO]- 269.17583 178.2
[M+CH3COO]- 283.19148 189.4
[M+Na-2H]- 245.15230 159.5
[M]+ 224.17708 160.8
[M]- 224.17818 160.8
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.