CID 101417159

(5alpha,10alpha)-3,7(11)-eudesmadien-2-one

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=O)CC2(C1CC(=C(C)C)CC2)C
InChI
InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,14H,5-6,8-9H2,1-4H3
InChIKey
SVQMAXHCMOZBSF-UHFFFAOYSA-N
Compound name
4,8a-dimethyl-6-propan-2-ylidene-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.9
[M+Na]+ 241.15629 164.6
[M+NH4]+ 236.20089 163.6
[M+K]+ 257.13023 155.4
[M-H]- 217.15979 155.6
[M+Na-2H]- 239.14174 158.0
[M]+ 218.16652 155.5
[M]- 218.16762 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.