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]+ 217.158686 148.7
[M+Na]+ 239.140628 156.1
[M-H]- 215.144134 153.0
[M+NH4]+ 234.185233 170.9
[M+K]+ 255.114568 152.7
[M+H-H2O]+ 199.148670 143.6
[M+HCOO]- 261.149611 166.4
[M+CH3COO]- 275.165261 191.4
[M+Na-2H]- 237.126076 151.9
[M]+ 216.15086142 145.9
[M]- 216.15195858 145.9
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.