CID 15836784

Rac-(2r,5s)-5-(pyridin-3-yl)pyrrolidine-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1C[C@H](N[C@H]1C2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7/h1-2,5-6,8-9,12H,3-4H2,(H,13,14)/t8-,9+/m1/s1
InChIKey
XNFSAICMYCRAOX-BDAKNGLRSA-N
Compound name
(2S,5R)-5-pyridin-3-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]+ 193.097146 141.8
[M+Na]+ 215.079088 147.9
[M-H]- 191.082594 142.9
[M+NH4]+ 210.123693 158.5
[M+K]+ 231.053028 144.5
[M+H-H2O]+ 175.087130 134.2
[M+HCOO]- 237.088071 159.3
[M+CH3COO]- 251.103721 176.1
[M+Na-2H]- 213.064536 144.5
[M]+ 192.08932142 136.5
[M]- 192.09041858 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.