CID 6438049

26091-11-2

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C/C=C/CC1=CN=C(C=C1)C

InChI

InChI=1S/C10H13N/c1-3-4-5-10-7-6-9(2)11-8-10/h3-4,6-8H,5H2,1-2H3/b4-3+

InChIKey

BLUFNCNDYMJKFL-ONEGZZNKSA-N

Compound name

5-[(E)-but-2-enyl]-2-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 147.1048 Da
Monoisotopic Mass: 2.6
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]+	148.112076	130.9
[M+Na]+	170.094018	139.4
[M-H]-	146.097524	133.3
[M+NH4]+	165.138623	151.4
[M+K]+	186.067958	136.6
[M+H-H2O]+	130.102060	124.8
[M+HCOO]-	192.103001	154.2
[M+CH3COO]-	206.118651	176.7
[M+Na-2H]-	168.079466	138.2
[M]+	147.10425142	131.4
[M]-	147.10534858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe