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

2
Annotation Hits: 0
References: 112
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	141.3
[M+Na]+	211.10934	156.5
[M+NH4]+	206.15394	151.5
[M+K]+	227.08328	148.5
[M-H]-	187.11284	148.2
[M+Na-2H]-	209.09479	150.4
[M]+	188.11957	145.7
[M]-	188.12067	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe