CID 20836347

Schembl19751866

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC/C=C(\CC)/C1=CC=CC=N1

InChI

InChI=1S/C11H15N/c1-3-7-10(4-2)11-8-5-6-9-12-11/h5-9H,3-4H2,1-2H3/b10-7+

InChIKey

WCDOQVSLTYEIPH-JXMROGBWSA-N

Compound name

2-[(E)-hex-3-en-3-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 161.12045 Da
Monoisotopic Mass: 3.4
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]+	162.127726	136.5
[M+Na]+	184.109668	143.3
[M-H]-	160.113174	138.4
[M+NH4]+	179.154273	156.0
[M+K]+	200.083608	140.7
[M+H-H2O]+	144.117710	129.9
[M+HCOO]-	206.118651	158.4
[M+CH3COO]-	220.134301	179.4
[M+Na-2H]-	182.095116	142.6
[M]+	161.11990142	136.3
[M]-	161.12099858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe