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]+ 221.092076 147.7
[M+Na]+ 243.074018 153.8
[M-H]- 219.077524 150.3
[M+NH4]+ 238.118623 163.9
[M+K]+ 259.047958 151.6
[M+H-H2O]+ 203.082060 139.8
[M+HCOO]- 265.083001 165.9
[M+CH3COO]- 279.098651 183.1
[M+Na-2H]- 241.059466 149.3
[M]+ 220.08425142 144.8
[M]- 220.08534858 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