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
2
Annotation Hits

0
References

15
Patents

216.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 150.3
[M+Na]+ 239.140628 156.3
[M-H]- 215.144134 157.4
[M+NH4]+ 234.185233 167.7
[M+K]+ 255.114568 154.7
[M+H-H2O]+ 199.148670 143.4
[M+HCOO]- 261.149611 169.9
[M+CH3COO]- 275.165261 190.8
[M+Na-2H]- 237.126076 154.2
[M]+ 216.15086142 149.2
[M]- 216.15195858 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