CID 106673

66068-84-6

Structural Information

Molecular Formula
C16H28O
SMILES
CC1C2CC(C1(C)C)CC2C3CCC(CC3)O
InChI
InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-15,17H,4-9H2,1-3H3
InChIKey
PCFHYANYPQEMPU-UHFFFAOYSA-N
Compound name
4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

520
Patents

236.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 161.0
[M+Na]+ 259.203238 166.5
[M-H]- 235.206744 165.1
[M+NH4]+ 254.247843 185.7
[M+K]+ 275.177178 162.2
[M+H-H2O]+ 219.211280 156.9
[M+HCOO]- 281.212221 175.7
[M+CH3COO]- 295.227871 192.7
[M+Na-2H]- 257.188686 158.8
[M]+ 236.21347142 155.7
[M]- 236.21456858 155.7
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

patents stripe