CID 13016877

1-(3-hydroxypropyl)-1h-benzo[d]imidazol-2(3h)-one

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1=CC=C2C(=C1)NC(=O)N2CCCO
InChI
InChI=1S/C10H12N2O2/c13-7-3-6-12-9-5-2-1-4-8(9)11-10(12)14/h1-2,4-5,13H,3,6-7H2,(H,11,14)
InChIKey
GNCQCMAOLWLYOU-UHFFFAOYSA-N
Compound name
3-(3-hydroxypropyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

192.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 139.0
[M+Na]+ 215.079088 149.6
[M-H]- 191.082594 139.0
[M+NH4]+ 210.123693 157.8
[M+K]+ 231.053028 145.0
[M+H-H2O]+ 175.087130 132.4
[M+HCOO]- 237.088071 160.3
[M+CH3COO]- 251.103721 177.3
[M+Na-2H]- 213.064536 145.8
[M]+ 192.08932142 140.5
[M]- 192.09041858 140.5
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