CID 9543648

2e,8z-undecadiene-4,6-diynoic acid

Structural Information

Molecular Formula
C11H10O2
SMILES
CC/C=C\C#CC#C/C=C/C(=O)O
InChI
InChI=1S/C11H10O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,9-10H,2H2,1H3,(H,12,13)/b4-3-,10-9+
InChIKey
SESVVWQTIKATCE-PWGWRZEZSA-N
Compound name
(2E,8Z)-undeca-2,8-dien-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 152.3
[M+Na]+ 197.057298 161.7
[M-H]- 173.060804 152.4
[M+NH4]+ 192.101903 165.4
[M+K]+ 213.031238 157.4
[M+H-H2O]+ 157.065340 139.2
[M+HCOO]- 219.066281 160.8
[M+CH3COO]- 233.081931 204.3
[M+Na-2H]- 195.042746 152.6
[M]+ 174.06753142 144.0
[M]- 174.06862858 144.0
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.