CID 58101644

1258070-65-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)N=C1N

InChI

InChI=1S/C10H11N3O2/c1-13-8-4-3-6(9(14)15-2)5-7(8)12-10(13)11/h3-5H,1-2H3,(H2,11,12)

InChIKey

VDWKHDHTVLIQBH-UHFFFAOYSA-N

Compound name

methyl 2-amino-1-methylbenzimidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 205.08513 Da
Monoisotopic Mass: 1.3
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]+	206.09241	142.4
[M+Na]+	228.07435	153.7
[M-H]-	204.07785	145.3
[M+NH4]+	223.11895	161.9
[M+K]+	244.04829	151.0
[M+H-H2O]+	188.08239	135.5
[M+HCOO]-	250.08333	166.2
[M+CH3COO]-	264.09898	188.0
[M+Na-2H]-	226.05980	147.8
[M]+	205.08458	145.7
[M]-	205.08568	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe