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
3
Annotation Hits

0
References

355
Patents

174.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 136.8
[M+Na]+ 197.093678 142.6
[M-H]- 173.097184 143.6
[M+NH4]+ 192.138283 155.4
[M+K]+ 213.067618 140.8
[M+H-H2O]+ 157.101720 130.3
[M+HCOO]- 219.102661 157.2
[M+CH3COO]- 233.118311 179.3
[M+Na-2H]- 195.079126 143.3
[M]+ 174.10391142 132.6
[M]- 174.10500858 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe