CID 717662

3-[(ethoxycarbonyl)amino]benzoic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCOC(=O)NC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-4-7(6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13)
InChIKey
ZLDHVJVKFNDXTH-UHFFFAOYSA-N
Compound name
3-(ethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

209.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.4
[M+Na]+ 232.05802 150.0
[M-H]- 208.06152 145.9
[M+NH4]+ 227.10262 161.1
[M+K]+ 248.03196 148.8
[M+H-H2O]+ 192.06606 137.2
[M+HCOO]- 254.06700 166.5
[M+CH3COO]- 268.08265 184.7
[M+Na-2H]- 230.04347 147.7
[M]+ 209.06825 144.3
[M]- 209.06935 144.3
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