CID 16640619

1803582-46-8

Structural Information

Molecular Formula

C₉H₁₀ClN₃

SMILES

CN1C2=C(C=C(C=C2)Cl)N=C1CN

InChI

InChI=1S/C9H10ClN3/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3

InChIKey

SPLIVFYNGMDOBZ-UHFFFAOYSA-N

Compound name

(5-chloro-1-methylbenzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 195.05632 Da
Monoisotopic Mass: 1.0
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]+	196.06360	137.5
[M+Na]+	218.04554	152.3
[M+NH4]+	213.09014	146.7
[M+K]+	234.01948	146.6
[M-H]-	194.04904	139.9
[M+Na-2H]-	216.03099	144.5
[M]+	195.05577	140.6
[M]-	195.05687	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe