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
1
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]+ 235.20564 159.1
[M+Na]+ 257.18758 165.3
[M-H]- 233.19108 164.6
[M+NH4]+ 252.23218 184.5
[M+K]+ 273.16152 161.3
[M+H-H2O]+ 217.19562 154.8
[M+HCOO]- 279.19656 175.5
[M+CH3COO]- 293.21221 194.4
[M+Na-2H]- 255.17303 157.3
[M]+ 234.19781 155.0
[M]- 234.19891 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.