CID 55447

Glycine, n-methyl-n-(3-oxo-3-phenylpropyl)-, 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]+ 222.112476 149.8
[M+Na]+ 244.094418 154.7
[M-H]- 220.097924 153.0
[M+NH4]+ 239.139023 167.3
[M+K]+ 260.068358 153.9
[M+H-H2O]+ 204.102460 143.0
[M+HCOO]- 266.103401 172.5
[M+CH3COO]- 280.119051 192.2
[M+Na-2H]- 242.079866 153.0
[M]+ 221.10465142 151.1
[M]- 221.10574858 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.