CID 309421

4-[(ethoxycarbonyl)amino]-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C10H11NO5
SMILES
CCOC(=O)NC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C10H11NO5/c1-2-16-10(15)11-6-3-4-7(9(13)14)8(12)5-6/h3-5,12H,2H2,1H3,(H,11,15)(H,13,14)
InChIKey
RKIVZBJACRLMMZ-UHFFFAOYSA-N
Compound name
4-(ethoxycarbonylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

225.06372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 146.0
[M+Na]+ 248.05294 152.9
[M-H]- 224.05644 147.4
[M+NH4]+ 243.09754 162.6
[M+K]+ 264.02688 151.6
[M+H-H2O]+ 208.06098 140.0
[M+HCOO]- 270.06192 167.7
[M+CH3COO]- 284.07757 185.9
[M+Na-2H]- 246.03839 149.2
[M]+ 225.06317 146.9
[M]- 225.06427 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe