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
2
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]+ 249.22130 163.3
[M+Na]+ 271.20324 169.3
[M-H]- 247.20674 168.6
[M+NH4]+ 266.24784 189.8
[M+K]+ 287.17718 164.9
[M+H-H2O]+ 231.21128 158.9
[M+HCOO]- 293.21222 179.4
[M+CH3COO]- 307.22787 196.0
[M+Na-2H]- 269.18869 162.7
[M]+ 248.21347 159.4
[M]- 248.21457 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.