CID 239699

1h-1,3-benzodiazol-1-amine

Structural Information

Molecular Formula
C7H7N3
SMILES
C1=CC=C2C(=C1)N=CN2N
InChI
InChI=1S/C7H7N3/c8-10-5-9-6-3-1-2-4-7(6)10/h1-5H,8H2
InChIKey
HXYXDTAROKJMBO-UHFFFAOYSA-N
Compound name
benzimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2584
Patents

133.064 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 122.0
[M+Na]+ 156.05322 133.0
[M-H]- 132.05672 124.4
[M+NH4]+ 151.09782 144.0
[M+K]+ 172.02716 130.1
[M+H-H2O]+ 116.06126 115.2
[M+HCOO]- 178.06220 147.3
[M+CH3COO]- 192.07785 137.0
[M+Na-2H]- 154.03867 131.8
[M]+ 133.06345 122.1
[M]- 133.06455 122.1
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