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

5
Patents

206.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 141.1
[M+Na]+ 229.05836 152.4
[M-H]- 205.06186 141.6
[M+NH4]+ 224.10296 159.4
[M+K]+ 245.03230 148.3
[M+H-H2O]+ 189.06640 134.9
[M+HCOO]- 251.06734 161.7
[M+CH3COO]- 265.08299 180.7
[M+Na-2H]- 227.04381 146.1
[M]+ 206.06859 143.1
[M]- 206.06969 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