CID 549395

Methyl 1h-imidazole-2-carboxylate

Structural Information

Molecular Formula
C5H6N2O2
SMILES
COC(=O)C1=NC=CN1
InChI
InChI=1S/C5H6N2O2/c1-9-5(8)4-6-2-3-7-4/h2-3H,1H3,(H,6,7)
InChIKey
JTAQRDQNFANUEK-UHFFFAOYSA-N
Compound name
methyl 1H-imidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

126.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 122.7
[M+Na]+ 149.03215 131.3
[M-H]- 125.03565 122.6
[M+NH4]+ 144.07675 143.1
[M+K]+ 165.00609 130.6
[M+H-H2O]+ 109.04019 116.2
[M+HCOO]- 171.04113 144.8
[M+CH3COO]- 185.05678 165.4
[M+Na-2H]- 147.01760 128.8
[M]+ 126.04238 122.4
[M]- 126.04348 122.4
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

patents stripe