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 159.4
[M+Na]+ 288.08425 163.3
[M-H]- 264.08775 161.0
[M+NH4]+ 283.12885 174.1
[M+K]+ 304.05819 162.6
[M+H-H2O]+ 248.09229 152.4
[M+HCOO]- 310.09323 179.8
[M+CH3COO]- 324.10888 195.8
[M+Na-2H]- 286.06970 160.4
[M]+ 265.09448 160.4
[M]- 265.09558 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.