CID 22475415

1255789-22-0

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC2=C(C(=C1)O)N=C(N2)N
InChI
InChI=1S/C7H7N3O/c8-7-9-4-2-1-3-5(11)6(4)10-7/h1-3,11H,(H3,8,9,10)
InChIKey
BBSYMXYQDPASMX-UHFFFAOYSA-N
Compound name
2-amino-1H-benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

149.05891 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 126.4
[M+Na]+ 172.04813 137.3
[M-H]- 148.05163 126.5
[M+NH4]+ 167.09273 146.5
[M+K]+ 188.02207 133.1
[M+H-H2O]+ 132.05617 120.3
[M+HCOO]- 194.05711 148.8
[M+CH3COO]- 208.07276 140.2
[M+Na-2H]- 170.03358 134.5
[M]+ 149.05836 124.5
[M]- 149.05946 124.5
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