CID 105430230

2825007-63-2

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

COC(=O)C1=CN=C(N1)CN

InChI

InChI=1S/C6H9N3O2/c1-11-6(10)4-3-8-5(2-7)9-4/h3H,2,7H2,1H3,(H,8,9)

InChIKey

XBZLWZQXJCNPIZ-UHFFFAOYSA-N

Compound name

methyl 2-(aminomethyl)-1H-imidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 155.06947 Da
Monoisotopic Mass: -0.9
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]+	156.07675	131.6
[M+Na]+	178.05869	140.6
[M+NH4]+	173.10329	137.6
[M+K]+	194.03263	139.0
[M-H]-	154.06219	130.4
[M+Na-2H]-	176.04414	135.2
[M]+	155.06892	132.0
[M]-	155.07002	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe