CID 528369

Nornicotine, n-formyl

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CC(N(C1)C=O)C2=CN=CC=C2

InChI

InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2

InChIKey

GQLSEYOOXBRDFZ-UHFFFAOYSA-N

Compound name

2-pyridin-3-ylpyrrolidine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 893
Patents: 176.09496 Da
Monoisotopic Mass: 0.7
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]+	177.102236	137.3
[M+Na]+	199.084178	144.7
[M-H]-	175.087684	141.0
[M+NH4]+	194.128783	156.2
[M+K]+	215.058118	142.1
[M+H-H2O]+	159.092220	129.2
[M+HCOO]-	221.093161	158.7
[M+CH3COO]-	235.108811	178.3
[M+Na-2H]-	197.069626	142.1
[M]+	176.09441142	135.0
[M]-	176.09550858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe