CID 3040443

2-benzimidazolinone, 1,3-bis(hydroxymethyl)-

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C2C(=C1)N(C(=O)N2CO)CO
InChI
InChI=1S/C9H10N2O3/c12-5-10-7-3-1-2-4-8(7)11(6-13)9(10)14/h1-4,12-13H,5-6H2
InChIKey
CNGROZGOFRTGFU-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

194.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 137.2
[M+Na]+ 217.05836 149.0
[M-H]- 193.06186 137.8
[M+NH4]+ 212.10296 156.2
[M+K]+ 233.03230 145.3
[M+H-H2O]+ 177.06640 131.0
[M+HCOO]- 239.06734 159.1
[M+CH3COO]- 253.08299 177.6
[M+Na-2H]- 215.04381 143.9
[M]+ 194.06859 140.2
[M]- 194.06969 140.2
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