CID 11513761

1,3-dimethylimidazolium-2-carboxylate

Structural Information

Molecular Formula
C6H9N2O2
SMILES
CN1C=C[N+](=C1C(=O)O)C
InChI
InChI=1S/C6H8N2O2/c1-7-3-4-8(2)5(7)6(9)10/h3-4H,1-2H3/p+1
InChIKey
HESZXGSSISDCNI-UHFFFAOYSA-O
Compound name
1,3-dimethylimidazol-1-ium-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

146
Patents

141.0664 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.073676 126.1
[M+Na]+ 164.055618 136.1
[M-H]- 140.059124 127.0
[M+NH4]+ 159.100223 146.3
[M+K]+ 180.029558 129.6
[M+H-H2O]+ 124.063660 122.9
[M+HCOO]- 186.064601 147.7
[M+CH3COO]- 200.080251 164.4
[M+Na-2H]- 162.041066 133.0
[M]+ 141.06585142 125.7
[M]- 141.06694858 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe