CID 1201521

(+)-fenchone

Structural Information

Molecular Formula
C10H16O
SMILES
C[C@]12CC[C@H](C1)C(C2=O)(C)C
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKey
LHXDLQBQYFFVNW-XCBNKYQSSA-N
Compound name
(1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

132
References

11876
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 134.1
[M+Na]+ 175.10934 143.4
[M+NH4]+ 170.15394 146.7
[M+K]+ 191.08328 137.1
[M-H]- 151.11284 134.6
[M+Na-2H]- 173.09479 138.5
[M]+ 152.11957 135.7
[M]- 152.12067 135.7
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