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

3
Annotation Hits: 0
References: 135
Patents: 236.21402 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.221296	160.7
[M+Na]+	259.203238	166.5
[M-H]-	235.206744	164.8
[M+NH4]+	254.247843	187.2
[M+K]+	275.177178	162.1
[M+H-H2O]+	219.211280	156.8
[M+HCOO]-	281.212221	175.5
[M+CH3COO]-	295.227871	171.9
[M+Na-2H]-	257.188686	160.3
[M]+	236.21347142	155.5
[M]-	236.21456858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe