CID 107217

Fenchyl acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC1C(C2CCC1(C2)C)(C)C
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
InChIKey
JUWUWIGZUVEFQB-UHFFFAOYSA-N
Compound name
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

3204
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 146.1
[M+Na]+ 219.13555 154.1
[M+NH4]+ 214.18015 157.7
[M+K]+ 235.10949 148.7
[M-H]- 195.13905 145.8
[M+Na-2H]- 217.12100 149.2
[M]+ 196.14578 147.2
[M]- 196.14688 147.2
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