CID 138401795

5-norbornenyldimethyldihydropyran

Structural Information

Molecular Formula
C14H20O
SMILES
CC1CC(OC(C1)C2=CC3CC2C=C3)C
InChI
InChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,8-12,14H,5-7H2,1-2H3
InChIKey
GNAMGFLYMQGDEF-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 147.7
[M+Na]+ 227.140628 154.8
[M-H]- 203.144134 154.4
[M+NH4]+ 222.185233 171.1
[M+K]+ 243.114568 152.6
[M+H-H2O]+ 187.148670 143.3
[M+HCOO]- 249.149611 166.9
[M+CH3COO]- 263.165261 161.0
[M+Na-2H]- 225.126076 149.3
[M]+ 204.15086142 146.6
[M]- 204.15195858 146.6
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

No patent data available for this compound.