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: 566
Patents: 236.21402 Da
Monoisotopic Mass: 4.5
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]+	237.22130	161.0
[M+Na]+	259.20324	166.5
[M-H]-	235.20674	165.1
[M+NH4]+	254.24784	185.7
[M+K]+	275.17718	162.2
[M+H-H2O]+	219.21128	156.9
[M+HCOO]-	281.21222	175.7
[M+CH3COO]-	295.22787	192.7
[M+Na-2H]-	257.18869	158.8
[M]+	236.21347	155.7
[M]-	236.21457	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe