CID 40544483

(2s)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1C[C@H](N(C1)C(=O)C2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C11H12N2O3/c14-10(8-4-1-2-6-12-8)13-7-3-5-9(13)11(15)16/h1-2,4,6,9H,3,5,7H2,(H,15,16)/t9-/m0/s1
InChIKey
UXKBRXACOQTFGA-VIFPVBQESA-N
Compound name
(2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.7
[M+Na]+ 243.07402 153.8
[M-H]- 219.07752 150.3
[M+NH4]+ 238.11862 163.9
[M+K]+ 259.04796 151.6
[M+H-H2O]+ 203.08206 139.8
[M+HCOO]- 265.08300 165.9
[M+CH3COO]- 279.09865 183.1
[M+Na-2H]- 241.05947 149.3
[M]+ 220.08425 144.8
[M]- 220.08535 144.8
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