CID 35785

Nerone

Structural Information

Molecular Formula
C13H22O
SMILES
CCC(=O)C1CC(CC=C1C)C(C)C
InChI
InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3
InChIKey
DZSVIVLGBJKQAP-UHFFFAOYSA-N
Compound name
1-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18920
Patents

194.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 147.2
[M+Na]+ 217.15629 158.2
[M+NH4]+ 212.20089 155.6
[M+K]+ 233.13023 152.0
[M-H]- 193.15979 149.1
[M+Na-2H]- 215.14174 151.5
[M]+ 194.16652 149.2
[M]- 194.16762 149.2
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