CID 11084680

64928-87-6

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCN

InChI

InChI=1S/C10H13N3O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7,11H2,(H,12,14)

InChIKey

IOBUDJJDOXQEHW-UHFFFAOYSA-N

Compound name

3-(3-aminopropyl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 191.10587 Da
Monoisotopic Mass: 0.2
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	139.6
[M+Na]+	214.09509	152.0
[M+NH4]+	209.13969	147.2
[M+K]+	230.06903	147.5
[M-H]-	190.09859	140.6
[M+Na-2H]-	212.08054	145.2
[M]+	191.10532	141.4
[M]-	191.10642	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe