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

40
Patents

225.06372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.070996 145.4
[M+Na]+ 248.052938 152.7
[M-H]- 224.056444 148.2
[M+NH4]+ 243.097543 162.6
[M+K]+ 264.026878 152.3
[M+H-H2O]+ 208.060980 139.1
[M+HCOO]- 270.061921 168.6
[M+CH3COO]- 284.077571 188.2
[M+Na-2H]- 246.038386 149.1
[M]+ 225.06317142 148.1
[M]- 225.06426858 148.1
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