CID 2773196

90871-47-9

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC(C)N1C2=CC=CC=C2N=C1N

InChI

InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12)

InChIKey

UDJSHISPNDRJNE-UHFFFAOYSA-N

Compound name

1-propan-2-ylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 175.11095 Da
Monoisotopic Mass: 1.7
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]+	176.118226	137.1
[M+Na]+	198.100168	147.4
[M-H]-	174.103674	139.5
[M+NH4]+	193.144773	157.6
[M+K]+	214.074108	144.2
[M+H-H2O]+	158.108210	130.1
[M+HCOO]-	220.109151	160.3
[M+CH3COO]-	234.124801	150.9
[M+Na-2H]-	196.085616	143.2
[M]+	175.11040142	137.9
[M]-	175.11149858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe