CID 924742

89219-02-3

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)CN

InChI

InChI=1S/C9H11N3/c1-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)

InChIKey

DTGZSWYLXQOOPV-UHFFFAOYSA-N

Compound name

(6-methyl-1H-benzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 31
Patents: 161.09529 Da
Monoisotopic Mass: 0.7
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]+	162.10257	131.9
[M+Na]+	184.08451	145.0
[M+NH4]+	179.12911	140.6
[M+K]+	200.05845	140.3
[M-H]-	160.08801	133.7
[M+Na-2H]-	182.06996	138.5
[M]+	161.09474	134.2
[M]-	161.09584	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe