CID 4657542

2-(methylamino)-3-phenylpropanoic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CNC(CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)
InChIKey
SCIFESDRCALIIM-UHFFFAOYSA-N
Compound name
2-(methylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

6028
Patents

179.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.5
[M+Na]+ 202.08386 149.9
[M+NH4]+ 197.12846 147.1
[M+K]+ 218.05780 144.8
[M-H]- 178.08736 140.9
[M+Na-2H]- 200.06931 145.3
[M]+ 179.09409 141.1
[M]- 179.09519 141.1
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

patents stripe