CID 85288059

13-nor-6-eremophilene-8,11-dione

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1CCCC2C1(C=C(C(=O)C2)C(=O)C)C
InChI
InChI=1S/C14H20O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-9,11H,4-7H2,1-3H3
InChIKey
XNORMQKITMTNGH-UHFFFAOYSA-N
Compound name
3-acetyl-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 151.3
[M+Na]+ 243.13555 162.6
[M+NH4]+ 238.18015 161.5
[M+K]+ 259.10949 154.2
[M-H]- 219.13905 153.5
[M+Na-2H]- 241.12100 156.2
[M]+ 220.14578 153.6
[M]- 220.14688 153.6
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

No patent data available for this compound.