CID 82784180

1547093-99-1

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CCN1C2=C(C=CC(=C2)C(=O)O)NC1=O
InChI
InChI=1S/C10H10N2O3/c1-2-12-8-5-6(9(13)14)3-4-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14)
InChIKey
SRKAYPNQWBNHTG-UHFFFAOYSA-N
Compound name
3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.1
[M+Na]+ 229.058358 152.4
[M-H]- 205.061864 141.6
[M+NH4]+ 224.102963 159.4
[M+K]+ 245.032298 148.3
[M+H-H2O]+ 189.066400 134.9
[M+HCOO]- 251.067341 161.7
[M+CH3COO]- 265.082991 180.7
[M+Na-2H]- 227.043806 146.1
[M]+ 206.06859142 143.1
[M]- 206.06968858 143.1
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