CID 86108808

Ns00065772

Structural Information

Molecular Formula
C12H18
SMILES
CC1(C=CC2C1C3CCC2C3)C
InChI
InChI=1S/C12H18/c1-12(2)6-5-10-8-3-4-9(7-8)11(10)12/h5-6,8-11H,3-4,7H2,1-2H3
InChIKey
ODJKOBNVDOOYOP-UHFFFAOYSA-N
Compound name
5,5-dimethyltricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.14085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 141.5
[M+Na]+ 185.130068 150.3
[M-H]- 161.133574 145.8
[M+NH4]+ 180.174673 172.3
[M+K]+ 201.104008 146.9
[M+H-H2O]+ 145.138110 138.4
[M+HCOO]- 207.139051 162.3
[M+CH3COO]- 221.154701 155.6
[M+Na-2H]- 183.115516 143.7
[M]+ 162.14030142 140.8
[M]- 162.14139858 140.8
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

No patent data available for this compound.