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]+ 266.102306 159.4
[M+Na]+ 288.084248 163.3
[M-H]- 264.087754 161.0
[M+NH4]+ 283.128853 174.1
[M+K]+ 304.058188 162.6
[M+H-H2O]+ 248.092290 152.4
[M+HCOO]- 310.093231 179.8
[M+CH3COO]- 324.108881 195.8
[M+Na-2H]- 286.069696 160.4
[M]+ 265.09448142 160.4
[M]- 265.09557858 160.4
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

No patent data available for this compound.