CID 580911

61985-23-7

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

COC(=O)N1C=CN=C1

InChI

InChI=1S/C5H6N2O2/c1-9-5(8)7-3-2-6-4-7/h2-4H,1H3

InChIKey

JQCPMLVMNQVRCC-UHFFFAOYSA-N

Compound name

methyl imidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 126.04293 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.05021	123.5
[M+Na]+	149.03215	134.5
[M+NH4]+	144.07675	130.8
[M+K]+	165.00609	131.9
[M-H]-	125.03565	122.8
[M+Na-2H]-	147.01760	129.0
[M]+	126.04238	124.5
[M]-	126.04348	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe