CID 4069131

1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)O
InChI
InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)
InChIKey
WEQJQNWXCSUVMA-UHFFFAOYSA-N
Compound name
1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

419
Patents

262.13174 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 161.4
[M+Na]+ 285.120958 165.0
[M-H]- 261.124464 164.4
[M+NH4]+ 280.165563 176.5
[M+K]+ 301.094898 162.4
[M+H-H2O]+ 245.129000 153.7
[M+HCOO]- 307.129941 179.3
[M+CH3COO]- 321.145591 194.8
[M+Na-2H]- 283.106406 159.8
[M]+ 262.13119142 156.7
[M]- 262.13228858 156.7
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.