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]+ 209.153606 145.1
[M+Na]+ 231.135548 153.6
[M-H]- 207.139054 149.3
[M+NH4]+ 226.180153 167.8
[M+K]+ 247.109488 152.3
[M+H-H2O]+ 191.143590 140.7
[M+HCOO]- 253.144531 161.9
[M+CH3COO]- 267.160181 186.1
[M+Na-2H]- 229.120996 152.3
[M]+ 208.14578142 144.5
[M]- 208.14687858 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.