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 149.0
[M+Na]+ 243.13555 155.6
[M-H]- 219.13905 153.1
[M+NH4]+ 238.18015 170.8
[M+K]+ 259.10949 153.2
[M+H-H2O]+ 203.14359 144.0
[M+HCOO]- 265.14453 165.8
[M+CH3COO]- 279.16018 191.5
[M+Na-2H]- 241.12100 151.9
[M]+ 220.14578 146.0
[M]- 220.14688 146.0
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.