CID 757168

886508-53-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CN1C2=C(C=C(C=C2)CN)N(C1=O)C

InChI

InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3

InChIKey

GDVGETHSXBLPHM-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14
Patents: 191.10587 Da
Monoisotopic Mass: 0.3
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]+	192.11315	139.5
[M+Na]+	214.09509	153.2
[M+NH4]+	209.13969	147.4
[M+K]+	230.06903	148.8
[M-H]-	190.09859	141.1
[M+Na-2H]-	212.08054	145.2
[M]+	191.10532	141.8
[M]-	191.10642	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe