CID 11745176

1-(2-aminoethyl)-2,3-dihydro-1h-1,3-benzodiazol-2-one hydrochloride

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1=CC=C2C(=C1)NC(=O)N2CCN
InChI
InChI=1S/C9H11N3O/c10-5-6-12-8-4-2-1-3-7(8)11-9(12)13/h1-4H,5-6,10H2,(H,11,13)
InChIKey
QRXBDDXQNITPII-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

177.09021 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.1
[M+Na]+ 200.07943 147.6
[M+NH4]+ 195.12403 142.8
[M+K]+ 216.05337 143.4
[M-H]- 176.08293 136.0
[M+Na-2H]- 198.06488 141.0
[M]+ 177.08966 136.9
[M]- 177.09076 136.9
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

patents stripe