CID 652224

1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)O)N(C1=O)C
InChI
InChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)
InChIKey
YADNYMAVRMDIDZ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

44
Patents

206.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 139.9
[M+Na]+ 229.058358 152.6
[M-H]- 205.061864 142.3
[M+NH4]+ 224.102963 159.3
[M+K]+ 245.032298 149.4
[M+H-H2O]+ 189.066400 133.9
[M+HCOO]- 251.067341 162.1
[M+CH3COO]- 265.082991 184.4
[M+Na-2H]- 227.043806 144.8
[M]+ 206.06859142 144.2
[M]- 206.06968858 144.2
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