CID 572270

3-eudesmen-6-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCCC2(C1C(=O)C(CC2)C(C)C)C
InChI
InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h6,10,12-13H,5,7-9H2,1-4H3
InChIKey
OUIUORSUNABXEN-UHFFFAOYSA-N
Compound name
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.9
[M+Na]+ 243.17193 157.8
[M-H]- 219.17543 155.7
[M+NH4]+ 238.21653 173.8
[M+K]+ 259.14587 155.2
[M+H-H2O]+ 203.17997 146.7
[M+HCOO]- 265.18091 167.9
[M+CH3COO]- 279.19656 193.3
[M+Na-2H]- 241.15738 154.0
[M]+ 220.18216 148.4
[M]- 220.18326 148.4
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.