CID 39870461

Sodium 1-(prop-2-en-1-yl)-1h-imidazole-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C=CCN1C=CN=C1C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h2-3,5H,1,4H2,(H,10,11)
InChIKey
JOVFIISAKDMWDA-UHFFFAOYSA-N
Compound name
1-prop-2-enylimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

152.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.1
[M+Na]+ 175.04780 139.0
[M-H]- 151.05130 130.0
[M+NH4]+ 170.09240 149.6
[M+K]+ 191.02174 137.1
[M+H-H2O]+ 135.05584 123.5
[M+HCOO]- 197.05678 151.7
[M+CH3COO]- 211.07243 172.3
[M+Na-2H]- 173.03325 134.5
[M]+ 152.05803 130.3
[M]- 152.05913 130.3
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