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 150.8
[M+Na]+ 247.13047 160.6
[M-H]- 223.13397 156.2
[M+NH4]+ 242.17507 170.2
[M+K]+ 263.10441 159.0
[M+H-H2O]+ 207.13851 148.0
[M+HCOO]- 269.13945 164.5
[M+CH3COO]- 283.15510 191.8
[M+Na-2H]- 245.11592 155.2
[M]+ 224.14070 153.7
[M]- 224.14180 153.7
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.