CID 121777

2-methyl-4-methylene-6-phenyl-1-oxacyclohexane

Structural Information

Molecular Formula

C₁₃H₁₆O

SMILES

CC1CC(=C)CC(O1)C2=CC=CC=C2

InChI

InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3

InChIKey

GXXCNAPXUOUUFX-UHFFFAOYSA-N

Compound name

2-methyl-4-methylidene-6-phenyloxane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 297
Patents: 188.12012 Da
Monoisotopic Mass: 2.8
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]+	189.127396	141.1
[M+Na]+	211.109338	147.4
[M-H]-	187.112844	148.1
[M+NH4]+	206.153943	159.5
[M+K]+	227.083278	145.4
[M+H-H2O]+	171.117380	134.6
[M+HCOO]-	233.118321	161.1
[M+CH3COO]-	247.133971	183.4
[M+Na-2H]-	209.094786	146.3
[M]+	188.11957142	137.7
[M]-	188.12066858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe