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]+ 190.097486 140.8
[M+Na]+ 212.079428 153.8
[M-H]- 188.082934 145.9
[M+NH4]+ 207.124033 155.2
[M+K]+ 228.053368 147.2
[M+H-H2O]+ 172.087470 134.0
[M+HCOO]- 234.088411 164.1
[M+CH3COO]- 248.104061 154.1
[M+Na-2H]- 210.064876 146.8
[M]+ 189.08966142 142.5
[M]- 189.09075858 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.