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 150.4
[M+Na]+ 241.15629 156.8
[M-H]- 217.15979 154.4
[M+NH4]+ 236.20089 172.4
[M+K]+ 257.13023 153.5
[M+H-H2O]+ 201.16433 145.4
[M+HCOO]- 263.16527 166.6
[M+CH3COO]- 277.18092 191.8
[M+Na-2H]- 239.14174 152.6
[M]+ 218.16652 146.2
[M]- 218.16762 146.2
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.