CID 5312705

10e,12e-tetradecadiene-4,6-diynoic acid

Structural Information

Molecular Formula
C14H16O2
SMILES
C/C=C/C=C/CCC#CC#CCCC(=O)O
InChI
InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-5H,6-7,12-13H2,1H3,(H,15,16)/b3-2+,5-4+
InChIKey
XVCXOPIQXLCWFY-MQQKCMAXSA-N
Compound name
(10E,12E)-tetradeca-10,12-dien-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 160.2
[M+Na]+ 239.10426 168.8
[M-H]- 215.10776 160.0
[M+NH4]+ 234.14886 172.2
[M+K]+ 255.07820 164.0
[M+H-H2O]+ 199.11230 146.8
[M+HCOO]- 261.11324 168.1
[M+CH3COO]- 275.12889 210.1
[M+Na-2H]- 237.08971 159.6
[M]+ 216.11449 152.6
[M]- 216.11559 152.6
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.