CID 106997

2-ethylfenchol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCC1(C(C2CCC1(C2)C)(C)C)O

InChI

InChI=1S/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3

InChIKey

KIPCKEJKGCXRGA-UHFFFAOYSA-N

Compound name

2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 312
Patents: 182.16707 Da
Monoisotopic Mass: 3.2
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	142.5
[M+Na]+	205.15629	151.7
[M-H]-	181.15979	144.7
[M+NH4]+	200.20089	173.3
[M+K]+	221.13023	148.4
[M+H-H2O]+	165.16433	140.8
[M+HCOO]-	227.16527	161.4
[M+CH3COO]-	241.18092	181.6
[M+Na-2H]-	203.14174	147.4
[M]+	182.16652	142.7
[M]-	182.16762	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe