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 148.7
[M+Na]+ 239.14063 156.1
[M-H]- 215.14413 153.0
[M+NH4]+ 234.18523 170.9
[M+K]+ 255.11457 152.7
[M+H-H2O]+ 199.14867 143.6
[M+HCOO]- 261.14961 166.4
[M+CH3COO]- 275.16526 191.4
[M+Na-2H]- 237.12608 151.9
[M]+ 216.15086 145.9
[M]- 216.15196 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.