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]+ 221.153606 149.0
[M+Na]+ 243.135548 155.6
[M-H]- 219.139054 153.1
[M+NH4]+ 238.180153 170.8
[M+K]+ 259.109488 153.2
[M+H-H2O]+ 203.143590 144.0
[M+HCOO]- 265.144531 165.8
[M+CH3COO]- 279.160181 191.5
[M+Na-2H]- 241.120996 151.9
[M]+ 220.14578142 146.0
[M]- 220.14687858 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.