CID 13680283

1-methyl-1h-1,3-benzodiazol-6-amine dihydrochloride

Structural Information

Molecular Formula
C8H9N3
SMILES
CN1C=NC2=C1C=C(C=C2)N
InChI
InChI=1S/C8H9N3/c1-11-5-10-7-3-2-6(9)4-8(7)11/h2-5H,9H2,1H3
InChIKey
AYZALFCBEKQGRT-UHFFFAOYSA-N
Compound name
3-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

147.07965 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 127.1
[M+Na]+ 170.06887 138.6
[M-H]- 146.07237 129.7
[M+NH4]+ 165.11347 148.8
[M+K]+ 186.04281 135.4
[M+H-H2O]+ 130.07691 120.4
[M+HCOO]- 192.07785 152.0
[M+CH3COO]- 206.09350 141.9
[M+Na-2H]- 168.05432 135.5
[M]+ 147.07910 127.8
[M]- 147.08020 127.8
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