CID 124202120

2-(2-phenylacetoxy)propionylglycine

Structural Information

Molecular Formula
C13H15NO5
SMILES
CCC(=O)NC(C(=O)O)OC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C13H15NO5/c1-2-10(15)14-12(13(17)18)19-11(16)8-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H,14,15)(H,17,18)
InChIKey
CFIIOIQADIQNGQ-UHFFFAOYSA-N
Compound name
2-(2-phenylacetyl)oxy-2-(propanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09503 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 159.6
[M+Na]+ 288.08425 167.2
[M+NH4]+ 283.12885 163.9
[M+K]+ 304.05819 164.6
[M-H]- 264.08775 158.2
[M+Na-2H]- 286.06970 162.2
[M]+ 265.09448 159.6
[M]- 265.09558 159.6
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.