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
4
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 154.4
[M+Na]+ 275.06384 158.4
[M-H]- 251.06734 156.4
[M+NH4]+ 270.10844 169.4
[M+K]+ 291.03778 158.3
[M+H-H2O]+ 235.07188 147.2
[M+HCOO]- 297.07282 176.5
[M+CH3COO]- 311.08847 193.8
[M+Na-2H]- 273.04929 156.8
[M]+ 252.07407 153.7
[M]- 252.07517 153.7
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.