CID 107070

68039-41-8

Structural Information

Molecular Formula
C13H16O
SMILES
CC1C=C(CC(O1)C2=CC=CC=C2)C
InChI
InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3
InChIKey
SQVJYNSGAXORSQ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-phenyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

158
Patents

188.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 141.3
[M+Na]+ 211.10934 156.5
[M+NH4]+ 206.15394 151.5
[M+K]+ 227.08328 148.5
[M-H]- 187.11284 148.2
[M+Na-2H]- 209.09479 150.4
[M]+ 188.11957 145.7
[M]- 188.12067 145.7
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