CID 107070

2h-pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-

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
3
Annotation Hits

0
References

175
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 140.7
[M+Na]+ 211.10934 147.8
[M-H]- 187.11284 148.1
[M+NH4]+ 206.15394 159.4
[M+K]+ 227.08328 146.3
[M+H-H2O]+ 171.11738 134.2
[M+HCOO]- 233.11832 162.0
[M+CH3COO]- 247.13397 183.9
[M+Na-2H]- 209.09479 147.0
[M]+ 188.11957 139.5
[M]- 188.12067 139.5
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