CID 266758

Methyl 5-amino-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

COC(=O)C1=C(N=CN1)N

InChI

InChI=1S/C5H7N3O2/c1-10-5(9)3-4(6)8-2-7-3/h2H,6H2,1H3,(H,7,8)

InChIKey

DESDXDWZSJRLDB-UHFFFAOYSA-N

Compound name

methyl 4-amino-1H-imidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 141.05383 Da
Monoisotopic Mass: 0.5
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]+	142.06111	127.2
[M+Na]+	164.04305	136.3
[M+NH4]+	159.08765	133.4
[M+K]+	180.01699	135.0
[M-H]-	140.04655	126.0
[M+Na-2H]-	162.02850	131.0
[M]+	141.05328	127.6
[M]-	141.05438	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe