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

2
Patents

192.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 141.1
[M+Na]+ 215.079088 147.7
[M-H]- 191.082594 143.6
[M+NH4]+ 210.123693 158.6
[M+K]+ 231.053028 145.2
[M+H-H2O]+ 175.087130 133.3
[M+HCOO]- 237.088071 160.2
[M+CH3COO]- 251.103721 178.6
[M+Na-2H]- 213.064536 144.3
[M]+ 192.08932142 137.8
[M]- 192.09041858 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