CID 96624293

Rac-(2r,5s)-5-(pyridin-2-yl)pyrrolidine-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1C[C@H](N[C@H]1C2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C10H12N2O2/c13-10(14)9-5-4-8(12-9)7-3-1-2-6-11-7/h1-3,6,8-9,12H,4-5H2,(H,13,14)/t8-,9+/m1/s1
InChIKey
OAKAKNDIJONVRO-BDAKNGLRSA-N
Compound name
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.8
[M+Na]+ 215.07909 147.9
[M-H]- 191.08259 142.9
[M+NH4]+ 210.12369 158.5
[M+K]+ 231.05303 144.5
[M+H-H2O]+ 175.08713 134.2
[M+HCOO]- 237.08807 159.3
[M+CH3COO]- 251.10372 176.1
[M+Na-2H]- 213.06454 144.5
[M]+ 192.08932 136.5
[M]- 192.09042 136.5
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.