CID 439383

(s)-6-hydroxynicotine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CN1CCC[C@H]1C2=CNC(=O)C=C2

InChI

InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1

InChIKey

ATRCOGLZUCICIV-VIFPVBQESA-N

Compound name

5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 244
Patents: 178.11061 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.117886	138.3
[M+Na]+	201.099828	146.2
[M-H]-	177.103334	141.0
[M+NH4]+	196.144433	156.8
[M+K]+	217.073768	142.7
[M+H-H2O]+	161.107870	130.8
[M+HCOO]-	223.108811	158.2
[M+CH3COO]-	237.124461	176.8
[M+Na-2H]-	199.085276	141.9
[M]+	178.11006142	134.5
[M]-	178.11115858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe