CID 3025746

139262-66-1

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC=C(C=C1)C(COC(=O)N)C(=O)O
InChI
InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)
InChIKey
AYRIVCKWIAUVOO-UHFFFAOYSA-N
Compound name
3-carbamoyloxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

209.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.8
[M+Na]+ 232.05802 153.6
[M+NH4]+ 227.10262 150.6
[M+K]+ 248.03196 150.6
[M-H]- 208.06152 144.5
[M+Na-2H]- 230.04347 148.7
[M]+ 209.06825 145.4
[M]- 209.06935 145.4
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

patents stripe