CID 23000190

267875-44-5

Structural Information

Molecular Formula
C9H11N3
SMILES
CC1=NC2=C(N1)C=C(C=C2)CN
InChI
InChI=1S/C9H11N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,5,10H2,1H3,(H,11,12)
InChIKey
XFMATJBLGFMLBT-UHFFFAOYSA-N
Compound name
(2-methyl-3H-benzimidazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

161.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.2
[M+Na]+ 184.084508 142.8
[M-H]- 160.088014 133.3
[M+NH4]+ 179.129113 152.7
[M+K]+ 200.058448 138.5
[M+H-H2O]+ 144.092550 125.6
[M+HCOO]- 206.093491 155.3
[M+CH3COO]- 220.109141 145.9
[M+Na-2H]- 182.069956 139.6
[M]+ 161.09474142 131.5
[M]- 161.09583858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe