CID 122554

Tetrahydro-2,2,6-trimethyl-2h-pyran

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1CCCC(O1)(C)C

InChI

InChI=1S/C8H16O/c1-7-5-4-6-8(2,3)9-7/h7H,4-6H2,1-3H3

InChIKey

PNKOSUMBMGVBPO-UHFFFAOYSA-N

Compound name

2,2,6-trimethyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 128.12012 Da
Monoisotopic Mass: 2.0
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]+	129.127396	126.2
[M+Na]+	151.109338	132.8
[M-H]-	127.112844	130.4
[M+NH4]+	146.153943	149.3
[M+K]+	167.083278	133.8
[M+H-H2O]+	111.117380	122.0
[M+HCOO]-	173.118321	146.1
[M+CH3COO]-	187.133971	172.0
[M+Na-2H]-	149.094786	133.6
[M]+	128.11957142	124.2
[M]-	128.12066858	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe