CID 91147

Gyrane

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCCCC1C=C(CC(O1)C)C

InChI

InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h8,10-11H,4-7H2,1-3H3

InChIKey

OSMLMQQJZVENMX-UHFFFAOYSA-N

Compound name

6-butyl-2,4-dimethyl-3,6-dihydro-2H-pyran

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 627
Patents: 168.15141 Da
Monoisotopic Mass: 2.9
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	138.9
[M+Na]+	191.14063	145.5
[M-H]-	167.14413	142.9
[M+NH4]+	186.18523	158.8
[M+K]+	207.11457	145.1
[M+H-H2O]+	151.14867	133.6
[M+HCOO]-	213.14961	159.3
[M+CH3COO]-	227.16526	182.3
[M+Na-2H]-	189.12608	143.9
[M]+	168.15086	139.6
[M]-	168.15196	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe