CID 118864503

2097273-59-9

Structural Information

Molecular Formula
C10H11NO5
SMILES
COC1=C(C(=CC=C1)OC)NC(=O)C(=O)O
InChI
InChI=1S/C10H11NO5/c1-15-6-4-3-5-7(16-2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey
AULRRTNGXKPSPX-UHFFFAOYSA-N
Compound name
2-(2,6-dimethoxyanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

225.06372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 147.1
[M+Na]+ 248.05294 156.8
[M+NH4]+ 243.09754 152.5
[M+K]+ 264.02688 153.7
[M-H]- 224.05644 146.7
[M+Na-2H]- 246.03839 150.9
[M]+ 225.06317 147.9
[M]- 225.06427 147.9
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