CID 131839748

3z,5z-tridecadiene-7,9,11-triynoic acid

Structural Information

Molecular Formula
C13H10O2
SMILES
CC#CC#CC#C/C=C\C=C/CC(=O)O
InChI
InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h8-11H,12H2,1H3,(H,14,15)/b9-8-,11-10-
InChIKey
HCPADGVIDOCFKJ-XESWYYRISA-N
Compound name
(3Z,5Z)-trideca-3,5-dien-7,9,11-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06808 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 167.2
[M+Na]+ 221.05730 175.1
[M-H]- 197.06080 169.5
[M+NH4]+ 216.10190 174.9
[M+K]+ 237.03124 171.0
[M+H-H2O]+ 181.06534 155.8
[M+HCOO]- 243.06628 169.9
[M+CH3COO]- 257.08193 227.6
[M+Na-2H]- 219.04275 164.9
[M]+ 198.06753 159.4
[M]- 198.06863 159.4
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.