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
5
Annotation Hits

0
References

302
Patents

182.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 141.8
[M+Na]+ 205.15629 150.1
[M+NH4]+ 200.20089 155.4
[M+K]+ 221.13023 142.3
[M-H]- 181.15979 142.0
[M+Na-2H]- 203.14174 146.9
[M]+ 182.16652 143.4
[M]- 182.16762 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe