CID 107069

3,6-dihydro-2,4-dimethyl-6-phenyl-2h-pyran

Structural Information

Molecular Formula

C₁₃H₁₆O

SMILES

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

InChI

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

InChIKey

KJAJQPSBQHSPCZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 116
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]+	189.12740	140.7
[M+Na]+	211.10934	147.8
[M-H]-	187.11284	148.1
[M+NH4]+	206.15394	159.4
[M+K]+	227.08328	146.3
[M+H-H2O]+	171.11738	134.2
[M+HCOO]-	233.11832	162.0
[M+CH3COO]-	247.13397	183.9
[M+Na-2H]-	209.09479	147.0
[M]+	188.11957	139.5
[M]-	188.12067	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe