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

208
Patents

209.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.2
[M+Na]+ 232.05802 149.5
[M-H]- 208.06152 146.3
[M+NH4]+ 227.10262 161.5
[M+K]+ 248.03196 148.9
[M+H-H2O]+ 192.06606 137.8
[M+HCOO]- 254.06700 166.3
[M+CH3COO]- 268.08265 184.4
[M+Na-2H]- 230.04347 147.9
[M]+ 209.06825 144.1
[M]- 209.06935 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