CID 72796165

5beta-1,3,7(11)-eudesmatrien-8-one

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=CC=CC2(C1CC(=C(C)C)C(=O)C2)C
InChI
InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3
InChIKey
DVGWOFUZNUYQPS-UHFFFAOYSA-N
Compound name
5,8a-dimethyl-3-propan-2-ylidene-4,4a-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 151.2
[M+Na]+ 239.14063 163.8
[M+NH4]+ 234.18523 162.0
[M+K]+ 255.11457 154.4
[M-H]- 215.14413 154.1
[M+Na-2H]- 237.12608 157.3
[M]+ 216.15086 154.0
[M]- 216.15196 154.0
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.