CID 819556

102616-91-1

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

48
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 126.0
[M+Na]+ 172.04813 138.9
[M+NH4]+ 167.09273 134.0
[M+K]+ 188.02207 135.2
[M-H]- 148.05163 127.0
[M+Na-2H]- 170.03358 132.4
[M]+ 149.05836 127.9
[M]- 149.05946 127.9
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