CID 82610226

1506078-41-6

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN1C2=CC=CC(=C2N(C1=O)C)C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-11-7-5-3-4-6(9(13)14)8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)
InChIKey
RCZKRAHLXZJZOP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxobenzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 139.9
[M+Na]+ 229.05836 152.6
[M-H]- 205.06186 142.3
[M+NH4]+ 224.10296 159.3
[M+K]+ 245.03230 149.4
[M+H-H2O]+ 189.06640 133.9
[M+HCOO]- 251.06734 162.1
[M+CH3COO]- 265.08299 184.4
[M+Na-2H]- 227.04381 144.8
[M]+ 206.06859 144.2
[M]- 206.06969 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.