CID 108443

60335-71-9

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC1=CCOC(C1)C2=CC=CC=C2

InChI

InChI=1S/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3

InChIKey

SWOPLXXJAVYFPY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 626
Patents: 174.10446 Da
Monoisotopic Mass: 2.2
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]+	175.11174	137.2
[M+Na]+	197.09368	152.2
[M+NH4]+	192.13828	147.6
[M+K]+	213.06762	144.3
[M-H]-	173.09718	144.1
[M+Na-2H]-	195.07913	146.8
[M]+	174.10391	141.5
[M]-	174.10501	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe