CID 1133005

1072959-18-2

Structural Information

Molecular Formula
C8H9N3
SMILES
CC1=NC2=C(C=CC=C2N1)N
InChI
InChI=1S/C8H9N3/c1-5-10-7-4-2-3-6(9)8(7)11-5/h2-4H,9H2,1H3,(H,10,11)
InChIKey
USVXDODAPOBXCF-UHFFFAOYSA-N
Compound name
2-methyl-1H-benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

147.07965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 127.6
[M+Na]+ 170.068868 138.7
[M-H]- 146.072374 128.8
[M+NH4]+ 165.113473 148.6
[M+K]+ 186.042808 134.5
[M+H-H2O]+ 130.076910 121.2
[M+HCOO]- 192.077851 151.0
[M+CH3COO]- 206.093501 141.8
[M+Na-2H]- 168.054316 135.6
[M]+ 147.07910142 126.5
[M]- 147.08019858 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe