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

21
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 150.9
[M+Na]+ 260.05294 159.7
[M+NH4]+ 255.09754 155.8
[M+K]+ 276.02688 157.0
[M-H]- 236.05644 150.0
[M+Na-2H]- 258.03839 154.2
[M]+ 237.06317 151.3
[M]- 237.06427 151.3
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