CID 6365354

Dimethylvinylpyridine

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

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

InChI

InChI=1S/C9H11N/c1-3-8(2)9-6-4-5-7-10-9/h3-7H,1-2H3/b8-3+

InChIKey

DZSTWBUQYOAZRZ-FPYGCLRLSA-N

Compound name

2-[(E)-but-2-en-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 133.08914 Da
Monoisotopic Mass: 2.5
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]+	134.096416	127.1
[M+Na]+	156.078358	134.7
[M-H]-	132.081864	129.4
[M+NH4]+	151.122963	147.8
[M+K]+	172.052298	132.7
[M+H-H2O]+	116.086400	121.0
[M+HCOO]-	178.087341	149.7
[M+CH3COO]-	192.102991	173.3
[M+Na-2H]-	154.063806	134.4
[M]+	133.08859142	126.2
[M]-	133.08968858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe