CID 131839756

4e,6e,12z-tetradecatriene-8,10-diynoic acid

Structural Information

Molecular Formula
C14H14O2
SMILES
C/C=C\C#CC#C/C=C/C=C/CCC(=O)O
InChI
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-11H,12-13H2,1H3,(H,15,16)/b3-2-,9-8+,11-10+
InChIKey
HXXDRCQLLBCTPQ-ULTUQXKFSA-N
Compound name
(4E,6E,12Z)-tetradeca-4,6,12-trien-8,10-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 161.4
[M+Na]+ 237.08860 170.3
[M-H]- 213.09210 161.2
[M+NH4]+ 232.13320 173.5
[M+K]+ 253.06254 165.0
[M+H-H2O]+ 197.09664 148.0
[M+HCOO]- 259.09758 169.4
[M+CH3COO]- 273.11323 209.1
[M+Na-2H]- 235.07405 160.6
[M]+ 214.09883 153.3
[M]- 214.09993 153.3
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.