CID 131750893

Epoxyeremopetasinorol

Structural Information

Molecular Formula
C13H20O3
SMILES
CC1C(CCC2C1(C3C(C2)(O3)C(=O)C)C)O
InChI
InChI=1S/C13H20O3/c1-7-10(15)5-4-9-6-13(8(2)14)11(16-13)12(7,9)3/h7,9-11,15H,4-6H2,1-3H3
InChIKey
IDTQMVOQRHWPMV-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-1b,2-dimethyl-2,3,4,5,5a,6-hexahydro-1aH-indeno[1,2-b]oxiren-6a-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 152.2
[M+Na]+ 247.13047 163.2
[M+NH4]+ 242.17507 164.1
[M+K]+ 263.10441 158.0
[M-H]- 223.13397 161.4
[M+Na-2H]- 245.11592 157.8
[M]+ 224.14070 157.7
[M]- 224.14180 157.7
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

No patent data available for this compound.