CID 16227046

90559-02-7

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CCC1=NC2=CC=CC=C2N1N

InChI

InChI=1S/C9H11N3/c1-2-9-11-7-5-3-4-6-8(7)12(9)10/h3-6H,2,10H2,1H3

InChIKey

VWPNQCVQJGAFFI-UHFFFAOYSA-N

Compound name

2-ethylbenzimidazol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.09529 Da
Monoisotopic Mass: 2.0
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]+	162.10257	131.6
[M+Na]+	184.08451	145.2
[M+NH4]+	179.12911	140.6
[M+K]+	200.05845	140.2
[M-H]-	160.08801	133.9
[M+Na-2H]-	182.06996	138.8
[M]+	161.09474	134.1
[M]-	161.09584	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe