CID 108444

4-methylene-2-phenyltetrahydro-2h-pyran

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C=C1CCOC(C1)C2=CC=CC=C2

InChI

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

InChIKey

XCZQYLKHFRXCPX-UHFFFAOYSA-N

Compound name

4-methylidene-2-phenyloxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 330
Patents: 174.10446 Da
Monoisotopic Mass: 2.4
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	138.2
[M+Na]+	197.09368	152.3
[M+NH4]+	192.13828	148.2
[M+K]+	213.06762	144.5
[M-H]-	173.09718	144.6
[M+Na-2H]-	195.07913	146.6
[M]+	174.10391	142.1
[M]-	174.10501	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe