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

126
Patents

188.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 140.7
[M+Na]+ 211.109338 147.8
[M-H]- 187.112844 148.1
[M+NH4]+ 206.153943 159.4
[M+K]+ 227.083278 146.3
[M+H-H2O]+ 171.117380 134.2
[M+HCOO]- 233.118321 162.0
[M+CH3COO]- 247.133971 183.9
[M+Na-2H]- 209.094786 147.0
[M]+ 188.11957142 139.5
[M]- 188.12066858 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