CID 23454481

3-methyl-5-norbornenyldimethyldihydropyran

Structural Information

Molecular Formula
C15H22O
SMILES
CC1C=C(CC(O1)C2C(C3CC2C=C3)C)C
InChI
InChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-6,10-15H,7-8H2,1-3H3
InChIKey
RAVXOXBLBRYGML-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.2
[M+Na]+ 241.15629 159.8
[M-H]- 217.15979 159.1
[M+NH4]+ 236.20089 175.3
[M+K]+ 257.13023 157.3
[M+H-H2O]+ 201.16433 148.0
[M+HCOO]- 263.16527 171.0
[M+CH3COO]- 277.18092 165.4
[M+Na-2H]- 239.14174 152.6
[M]+ 218.16652 151.8
[M]- 218.16762 151.8
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