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]+ 205.15869 147.7
[M+Na]+ 227.14063 154.8
[M-H]- 203.14413 154.4
[M+NH4]+ 222.18523 171.1
[M+K]+ 243.11457 152.6
[M+H-H2O]+ 187.14867 143.3
[M+HCOO]- 249.14961 166.9
[M+CH3COO]- 263.16526 161.0
[M+Na-2H]- 225.12608 149.3
[M]+ 204.15086 146.6
[M]- 204.15196 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.