CID 107052

Bornyl-2-methylcyclohexanone

Structural Information

Molecular Formula
C17H28O
SMILES
CC1CC2CCC1(C2(C)C)CC3CCCCC3=O
InChI
InChI=1S/C17H28O/c1-12-10-14-8-9-17(12,16(14,2)3)11-13-6-4-5-7-15(13)18/h12-14H,4-11H2,1-3H3
InChIKey
BZMLQIXBJWHOFE-UHFFFAOYSA-N
Compound name
2-[(2,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

248.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 163.3
[M+Na]+ 271.203238 169.3
[M-H]- 247.206744 168.6
[M+NH4]+ 266.247843 189.8
[M+K]+ 287.177178 164.9
[M+H-H2O]+ 231.211280 158.9
[M+HCOO]- 293.212221 179.4
[M+CH3COO]- 307.227871 196.0
[M+Na-2H]- 269.188686 162.7
[M]+ 248.21347142 159.4
[M]- 248.21456858 159.4
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.