CID 819556

1-amino-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC=C2C(=C1)NC(=O)N2N
InChI
InChI=1S/C7H7N3O/c8-10-6-4-2-1-3-5(6)9-7(10)11/h1-4H,8H2,(H,9,11)
InChIKey
KOFUWGOMTZTSTO-UHFFFAOYSA-N
Compound name
3-amino-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

149.05891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 125.5
[M+Na]+ 172.04813 137.1
[M-H]- 148.05163 126.9
[M+NH4]+ 167.09273 146.3
[M+K]+ 188.02207 133.1
[M+H-H2O]+ 132.05617 119.1
[M+HCOO]- 194.05711 149.6
[M+CH3COO]- 208.07276 139.9
[M+Na-2H]- 170.03358 133.9
[M]+ 149.05836 124.7
[M]- 149.05946 124.7
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