CID 122420336

1945993-03-2

Structural Information

Molecular Formula
C15H20O
SMILES
CC1C=C(CC(O1)C(C)C2=CC=CC=C2)C
InChI
InChI=1S/C15H20O/c1-11-9-12(2)16-15(10-11)13(3)14-7-5-4-6-8-14/h4-9,12-13,15H,10H2,1-3H3
InChIKey
CWFVRZKIYJWUQH-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

216.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 150.3
[M+Na]+ 239.14063 156.3
[M-H]- 215.14413 157.4
[M+NH4]+ 234.18523 167.7
[M+K]+ 255.11457 154.7
[M+H-H2O]+ 199.14867 143.4
[M+HCOO]- 261.14961 169.9
[M+CH3COO]- 275.16526 190.8
[M+Na-2H]- 237.12608 154.2
[M]+ 216.15086 149.2
[M]- 216.15196 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe