CID 163418

8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCC1(C2(CCCC1(CC2)C)C)O

InChI

InChI=1S/C12H22O/c1-4-12(13)10(2)6-5-7-11(12,3)9-8-10/h13H,4-9H2,1-3H3

InChIKey

AKVDDUFUTRWZKY-UHFFFAOYSA-N

Compound name

8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 28
Patents: 182.16707 Da
Monoisotopic Mass: 3.1
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]+	183.174346	143.7
[M+Na]+	205.156288	151.2
[M-H]-	181.159794	145.3
[M+NH4]+	200.200893	172.5
[M+K]+	221.130228	148.1
[M+H-H2O]+	165.164330	140.7
[M+HCOO]-	227.165271	160.5
[M+CH3COO]-	241.180921	180.3
[M+Na-2H]-	203.141736	150.2
[M]+	182.16652142	141.4
[M]-	182.16761858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe