CID 3017306

2-butyl-5,6-dihydro-2,4-dimethyl-2h-pyran

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCCCC1(C=C(CCO1)C)C

InChI

InChI=1S/C11H20O/c1-4-5-7-11(3)9-10(2)6-8-12-11/h9H,4-8H2,1-3H3

InChIKey

UQKWXXUNZGHJMP-UHFFFAOYSA-N

Compound name

6-butyl-4,6-dimethyl-2,3-dihydropyran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 168.15141 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]+	169.15869	138.8
[M+Na]+	191.14063	151.1
[M+NH4]+	186.18523	149.5
[M+K]+	207.11457	142.3
[M-H]-	167.14413	142.8
[M+Na-2H]-	189.12608	145.9
[M]+	168.15086	142.0
[M]-	168.15196	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe