CID 131750892

Eremopetasinorol

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1C(CCC2C1(C=C(C2)C(=O)C)C)O
InChI
InChI=1S/C13H20O2/c1-8-12(15)5-4-11-6-10(9(2)14)7-13(8,11)3/h7-8,11-12,15H,4-6H2,1-3H3
InChIKey
GBUDXEBRIWMUIF-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 148.3
[M+Na]+ 231.13555 158.1
[M+NH4]+ 226.18015 158.4
[M+K]+ 247.10949 152.4
[M-H]- 207.13905 149.4
[M+Na-2H]- 229.12100 151.9
[M]+ 208.14578 150.0
[M]- 208.14688 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe