CID 106674

4-((1r,2r,4r)-born-2-yl)cyclohexanol

Structural Information

Molecular Formula
C16H28O
SMILES
CC1(C2CCC1(C(C2)C3CCC(CC3)O)C)C
InChI
InChI=1S/C16H28O/c1-15(2)12-8-9-16(15,3)14(10-12)11-4-6-13(17)7-5-11/h11-14,17H,4-10H2,1-3H3
InChIKey
LFHQKYSBKVWWOS-UHFFFAOYSA-N
Compound name
4-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

236.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 159.1
[M+Na]+ 259.20324 167.1
[M+NH4]+ 254.24784 171.8
[M+K]+ 275.17718 160.2
[M-H]- 235.20674 161.5
[M+Na-2H]- 257.18869 162.7
[M]+ 236.21347 161.0
[M]- 236.21457 161.0
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

patents stripe