CID 84023301

6-amino-1-cyclopropyl-1h-1,3-benzodiazol-2-ol hydrochloride

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1CC1N2C3=C(C=CC(=C3)N)NC2=O
InChI
InChI=1S/C10H11N3O/c11-6-1-4-8-9(5-6)13(7-2-3-7)10(14)12-8/h1,4-5,7H,2-3,11H2,(H,12,14)
InChIKey
BRMOLJWVJMCQPK-UHFFFAOYSA-N
Compound name
5-amino-3-cyclopropyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.8
[M+Na]+ 212.07943 153.8
[M-H]- 188.08293 145.9
[M+NH4]+ 207.12403 155.2
[M+K]+ 228.05337 147.2
[M+H-H2O]+ 172.08747 134.0
[M+HCOO]- 234.08841 164.1
[M+CH3COO]- 248.10406 154.1
[M+Na-2H]- 210.06488 146.8
[M]+ 189.08966 142.5
[M]- 189.09076 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.