CID 6446397

4-hydroxy stiripentol

Structural Information

Molecular Formula
C14H20O3
SMILES
CC(C)(C)C(/C=C/C1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5-9,13,15-16H,1-4H3/b8-6+
InChIKey
KZMOPPALPUQHAR-SOFGYWHQSA-N
Compound name
4-[(E)-3-hydroxy-4,4-dimethylpent-1-enyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 155.5
[M+Na]+ 259.13047 162.3
[M-H]- 235.13397 156.6
[M+NH4]+ 254.17507 172.5
[M+K]+ 275.10441 159.4
[M+H-H2O]+ 219.13851 150.4
[M+HCOO]- 281.13945 173.7
[M+CH3COO]- 295.15510 188.7
[M+Na-2H]- 257.11592 158.3
[M]+ 236.14070 156.6
[M]- 236.14180 156.6
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.