CID 5312405

3,4-tetradecadienoic acid

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCCCCCCCC=C=CCC(=O)O
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10,12H,2-9,13H2,1H3,(H,15,16)
InChIKey
PPGZINTUQYPGJL-UHFFFAOYSA-N
Compound name
tetradeca-3,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.17763 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe