CID 44890920

886363-83-3

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
C1CN(CC1C(=O)O)C(CN)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H17ClN2O2/c14-11-4-2-1-3-10(11)12(7-15)16-6-5-9(8-16)13(17)18/h1-4,9,12H,5-8,15H2,(H,17,18)
InChIKey
YTGVQIOLIBQSHG-UHFFFAOYSA-N
Compound name
1-[2-amino-1-(2-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 161.5
[M+Na]+ 291.08709 167.3
[M-H]- 267.09059 164.7
[M+NH4]+ 286.13169 177.7
[M+K]+ 307.06103 162.5
[M+H-H2O]+ 251.09513 154.8
[M+HCOO]- 313.09607 175.8
[M+CH3COO]- 327.11172 195.1
[M+Na-2H]- 289.07254 160.3
[M]+ 268.09732 158.9
[M]- 268.09842 158.9
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.