CID 11128786

9-hydroxy-helminthosporol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=C([C@H]2[C@H](CC[C@@]1([C@H]2CO)C)C(C)(C)O)C=O
InChI
InChI=1S/C15H24O3/c1-9-10(7-16)13-11(14(2,3)18)5-6-15(9,4)12(13)8-17/h7,11-13,17-18H,5-6,8H2,1-4H3/t11-,12-,13-,15-/m0/s1
InChIKey
QFJIUZRBPKWCLG-ABHRYQDASA-N
Compound name
(1R,4S,5R,8S)-8-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)-1,7-dimethylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 160.6
[M+Na]+ 275.16177 168.4
[M-H]- 251.16527 161.0
[M+NH4]+ 270.20637 182.7
[M+K]+ 291.13571 164.7
[M+H-H2O]+ 235.16981 157.9
[M+HCOO]- 297.17075 175.2
[M+CH3COO]- 311.18640 194.0
[M+Na-2H]- 273.14722 163.4
[M]+ 252.17200 161.2
[M]- 252.17310 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.