CID 964405

4-(2-amino-2-oxoethoxy)benzoic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC(=CC=C1C(=O)O)OCC(=O)N
InChI
InChI=1S/C9H9NO4/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKey
AWIPPDRFNWTGTR-UHFFFAOYSA-N
Compound name
4-(2-amino-2-oxoethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

195.05316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 138.9
[M+Na]+ 218.042378 145.7
[M-H]- 194.045884 140.9
[M+NH4]+ 213.086983 156.7
[M+K]+ 234.016318 144.4
[M+H-H2O]+ 178.050420 132.8
[M+HCOO]- 240.051361 161.6
[M+CH3COO]- 254.067011 182.5
[M+Na-2H]- 216.027826 142.6
[M]+ 195.05261142 138.6
[M]- 195.05370858 138.6
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