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]+ 175.07536 152.3
[M+Na]+ 197.05730 161.7
[M-H]- 173.06080 152.4
[M+NH4]+ 192.10190 165.4
[M+K]+ 213.03124 157.4
[M+H-H2O]+ 157.06534 139.2
[M+HCOO]- 219.06628 160.8
[M+CH3COO]- 233.08193 204.3
[M+Na-2H]- 195.04275 152.6
[M]+ 174.06753 144.0
[M]- 174.06863 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.