CID 773560

1848-90-4

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN1C2=CC=CC=C2N(C1=O)CC(=O)O
InChI
InChI=1S/C10H10N2O3/c1-11-7-4-2-3-5-8(7)12(10(11)15)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
LAPYIDMXQINFIS-UHFFFAOYSA-N
Compound name
2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

206.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 141.7
[M+Na]+ 229.05836 154.7
[M+NH4]+ 224.10296 148.4
[M+K]+ 245.03230 151.6
[M-H]- 205.06186 141.2
[M+Na-2H]- 227.04381 146.5
[M]+ 206.06859 143.2
[M]- 206.06969 143.2
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