CID 82229746

64826-46-6

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CN1C2=C(C=C(C=C2)O)N(C1=O)C
InChI
InChI=1S/C9H10N2O2/c1-10-7-4-3-6(12)5-8(7)11(2)9(10)13/h3-5,12H,1-2H3
InChIKey
CVSBMTLJYVHJID-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.5
[M+Na]+ 201.06345 146.9
[M-H]- 177.06695 135.9
[M+NH4]+ 196.10805 154.3
[M+K]+ 217.03739 143.4
[M+H-H2O]+ 161.07149 127.6
[M+HCOO]- 223.07243 156.6
[M+CH3COO]- 237.08808 179.2
[M+Na-2H]- 199.04890 139.9
[M]+ 178.07368 137.3
[M]- 178.07478 137.3
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.