CID 12895984

1-(pyridin-4-yl)pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CN(CC1C(=O)O)C2=CC=NC=C2
InChI
InChI=1S/C10H12N2O2/c13-10(14)8-3-6-12(7-8)9-1-4-11-5-2-9/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChIKey
UVWRUARFQZMWHP-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.1
[M+Na]+ 215.07909 147.7
[M-H]- 191.08259 143.6
[M+NH4]+ 210.12369 158.6
[M+K]+ 231.05303 145.2
[M+H-H2O]+ 175.08713 133.3
[M+HCOO]- 237.08807 160.2
[M+CH3COO]- 251.10372 178.6
[M+Na-2H]- 213.06454 144.3
[M]+ 192.08932 137.8
[M]- 192.09042 137.8
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

patents stripe