CID 24252557

4078-55-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

COC1=CC2=C(C=C1)N=C(N2)CCN

InChI

InChI=1S/C10H13N3O/c1-14-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,13)

InChIKey

FBEXKNOXRQGGCX-UHFFFAOYSA-N

Compound name

2-(6-methoxy-1H-benzimidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 191.10587 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]+	192.113146	139.8
[M+Na]+	214.095088	149.8
[M-H]-	190.098594	140.6
[M+NH4]+	209.139693	158.9
[M+K]+	230.069028	145.7
[M+H-H2O]+	174.103130	132.7
[M+HCOO]-	236.104071	162.7
[M+CH3COO]-	250.119721	182.8
[M+Na-2H]-	212.080536	146.6
[M]+	191.10532142	140.8
[M]-	191.10641858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe