CID 1608347

2-((3-oxo-3-phenylpropyl)amino)acetic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1=CC=C(C=C1)C(=O)CCNCC(=O)O
InChI
InChI=1S/C11H13NO3/c13-10(6-7-12-8-11(14)15)9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,14,15)
InChIKey
XHSURMJJKAFELI-UHFFFAOYSA-N
Compound name
2-[(3-oxo-3-phenylpropyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

13
Patents

207.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.4
[M+Na]+ 230.07876 150.5
[M-H]- 206.08226 147.2
[M+NH4]+ 225.12336 162.7
[M+K]+ 246.05270 148.4
[M+H-H2O]+ 190.08680 138.9
[M+HCOO]- 252.08774 167.8
[M+CH3COO]- 266.10339 185.7
[M+Na-2H]- 228.06421 149.8
[M]+ 207.08899 144.9
[M]- 207.09009 144.9
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.