CID 91998

56057-93-3

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CC1=NC=C(C=C1)C(=C)C

InChI

InChI=1S/C9H11N/c1-7(2)9-5-4-8(3)10-6-9/h4-6H,1H2,2-3H3

InChIKey

GJFICMVGNQQCEE-UHFFFAOYSA-N

Compound name

2-methyl-5-prop-1-en-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 133.08914 Da
Monoisotopic Mass: 2.7
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]+	134.09642	127.7
[M+Na]+	156.07836	141.6
[M+NH4]+	151.12296	136.8
[M+K]+	172.05230	134.6
[M-H]-	132.08186	129.9
[M+Na-2H]-	154.06381	135.4
[M]+	133.08859	130.3
[M]-	133.08969	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe