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: 27
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]+	183.17435	143.7
[M+Na]+	205.15629	151.2
[M-H]-	181.15979	145.3
[M+NH4]+	200.20089	172.5
[M+K]+	221.13023	148.1
[M+H-H2O]+	165.16433	140.7
[M+HCOO]-	227.16527	160.5
[M+CH3COO]-	241.18092	180.3
[M+Na-2H]-	203.14174	150.2
[M]+	182.16652	141.4
[M]-	182.16762	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe