CID 40082

51679-85-7

Structural Information

Molecular Formula
C11H11NO5
SMILES
CCOC(=O)C(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H11NO5/c1-2-17-11(16)9(13)12-8-6-4-3-5-7(8)10(14)15/h3-6H,2H2,1H3,(H,12,13)(H,14,15)
InChIKey
MYXIPVXKCGHPIQ-UHFFFAOYSA-N
Compound name
2-[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

237.06372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07100 149.6
[M+Na]+ 260.05294 155.7
[M-H]- 236.05644 152.0
[M+NH4]+ 255.09754 166.0
[M+K]+ 276.02688 154.9
[M+H-H2O]+ 220.06098 143.1
[M+HCOO]- 282.06192 171.7
[M+CH3COO]- 296.07757 189.4
[M+Na-2H]- 258.03839 152.2
[M]+ 237.06317 150.9
[M]- 237.06427 150.9
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