CID 55447

N-methyl-n-(3-oxo-3-phenylpropyl)glycine hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
CN(CCC(=O)C1=CC=CC=C1)CC(=O)O
InChI
InChI=1S/C12H15NO3/c1-13(9-12(15)16)8-7-11(14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,16)
InChIKey
YMMDRUIIOHCBNI-UHFFFAOYSA-N
Compound name
2-[methyl-(3-oxo-3-phenylpropyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.8
[M+Na]+ 244.09442 154.7
[M-H]- 220.09792 153.0
[M+NH4]+ 239.13902 167.3
[M+K]+ 260.06836 153.9
[M+H-H2O]+ 204.10246 143.0
[M+HCOO]- 266.10340 172.5
[M+CH3COO]- 280.11905 192.2
[M+Na-2H]- 242.07987 153.0
[M]+ 221.10465 151.1
[M]- 221.10575 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.