CID 107191

Cyclohexanone, 3-(5,5,6-trimethylbicyclo(2.2.1)hept-2-yl)-

Structural Information

Molecular Formula
C16H26O
SMILES
CC1C2CC(C1(C)C)CC2C3CCCC(=O)C3
InChI
InChI=1S/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-12,14-15H,4-9H2,1-3H3
InChIKey
HMGCHONRNBIROB-UHFFFAOYSA-N
Compound name
3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 159.1
[M+Na]+ 257.187578 165.3
[M-H]- 233.191084 164.6
[M+NH4]+ 252.232183 184.5
[M+K]+ 273.161518 161.3
[M+H-H2O]+ 217.195620 154.8
[M+HCOO]- 279.196561 175.5
[M+CH3COO]- 293.212211 194.4
[M+Na-2H]- 255.173026 157.3
[M]+ 234.19781142 155.0
[M]- 234.19890858 155.0
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.