CID 3024003

Tetrahydro-4-methyl-2-phenyl-2h-pyran

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1CCOC(C1)C2=CC=CC=C2

InChI

InChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3

InChIKey

GDAVABNCFOTAOD-UHFFFAOYSA-N

Compound name

4-methyl-2-phenyloxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 464
Patents: 176.12012 Da
Monoisotopic Mass: 2.9
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]+	177.12740	139.0
[M+Na]+	199.10934	153.0
[M+NH4]+	194.15394	149.3
[M+K]+	215.08328	145.3
[M-H]-	175.11284	145.6
[M+Na-2H]-	197.09479	147.5
[M]+	176.11957	143.0
[M]-	176.12067	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe