CID 139595993

Dtxsid001028758

Structural Information

Molecular Formula
C11H12N2O5
SMILES
CC(C(=O)NC(=O)O)OC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)
InChIKey
LWARHALRCYEJSR-UHFFFAOYSA-N
Compound name
2-(phenylcarbamoyloxy)propanoylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

252.07462 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 155.2
[M+Na]+ 275.06384 162.0
[M+NH4]+ 270.10844 159.4
[M+K]+ 291.03778 160.3
[M-H]- 251.06734 154.2
[M+Na-2H]- 273.04929 158.0
[M]+ 252.07407 155.1
[M]- 252.07517 155.1
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

No patent data available for this compound.