CID 11084680

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

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1=CC=C2C(=C1)NC(=O)N2CCCN
InChI
InChI=1S/C10H13N3O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7,11H2,(H,12,14)
InChIKey
IOBUDJJDOXQEHW-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

191.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 139.3
[M+Na]+ 214.095088 149.6
[M-H]- 190.098594 140.1
[M+NH4]+ 209.139693 158.4
[M+K]+ 230.069028 144.9
[M+H-H2O]+ 174.103130 132.3
[M+HCOO]- 236.104071 162.4
[M+CH3COO]- 250.119721 182.0
[M+Na-2H]- 212.080536 146.1
[M]+ 191.10532142 139.6
[M]- 191.10641858 139.6
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