CID 17791230

1236791-32-4

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C1C(CN1)C2=CC=NC=C2

InChI

InChI=1S/C8H10N2/c1-3-9-4-2-7(1)8-5-10-6-8/h1-4,8,10H,5-6H2

InChIKey

NMTRJQSTTCLCTR-UHFFFAOYSA-N

Compound name

4-(azetidin-3-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 134.0844 Da
Monoisotopic Mass: 0.2
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]+	135.09168	124.0
[M+Na]+	157.07362	130.2
[M-H]-	133.07712	126.2
[M+NH4]+	152.11822	135.9
[M+K]+	173.04756	130.5
[M+H-H2O]+	117.08166	111.6
[M+HCOO]-	179.08260	143.2
[M+CH3COO]-	193.09825	173.0
[M+Na-2H]-	155.05907	132.2
[M]+	134.08385	128.6
[M]-	134.08495	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe