CID 51886

2-[(phenylcarbamoyl)oxy]propanoic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC(C(=O)O)OC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)
InChIKey
HYIHYWQSOXTJFS-UHFFFAOYSA-N
Compound name
2-(phenylcarbamoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

189
Patents

209.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 144.2
[M+Na]+ 232.058018 149.5
[M-H]- 208.061524 146.3
[M+NH4]+ 227.102623 161.5
[M+K]+ 248.031958 148.9
[M+H-H2O]+ 192.066060 137.8
[M+HCOO]- 254.067001 166.3
[M+CH3COO]- 268.082651 184.4
[M+Na-2H]- 230.043466 147.9
[M]+ 209.06825142 144.1
[M]- 209.06934858 144.1
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