CID 101415508

(5alpha,8beta,9beta)-5,9-epoxy-3,6-megastigmadien-8-ol

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1C(C=C2C(CC=CC2(O1)C)(C)C)O
InChI
InChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3
InChIKey
ULAJGYNCWKGREU-UHFFFAOYSA-N
Compound name
2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 145.1
[M+Na]+ 231.13555 153.6
[M-H]- 207.13905 149.3
[M+NH4]+ 226.18015 167.8
[M+K]+ 247.10949 152.3
[M+H-H2O]+ 191.14359 140.7
[M+HCOO]- 253.14453 161.9
[M+CH3COO]- 267.16018 186.1
[M+Na-2H]- 229.12100 152.3
[M]+ 208.14578 144.5
[M]- 208.14688 144.5
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.