CID 10613353

(1r,2r,3r,4r)-1-[(1r)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4-methyl-cyclohexane-1,2,3,4-tetrol

Structural Information

Molecular Formula
C15H28O5
SMILES
CC(=CCC[C@](C)([C@]1(CC[C@@]([C@@H]([C@H]1O)O)(C)O)O)O)C
InChI
InChI=1S/C15H28O5/c1-10(2)6-5-7-14(4,19)15(20)9-8-13(3,18)11(16)12(15)17/h6,11-12,16-20H,5,7-9H2,1-4H3/t11-,12-,13-,14-,15-/m1/s1
InChIKey
NHBJWMZRJYBAPG-KJWHEZOQSA-N
Compound name
(1R,2R,3R,4R)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohexane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.19366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20094 168.7
[M+Na]+ 311.18288 173.2
[M-H]- 287.18638 165.0
[M+NH4]+ 306.22748 185.3
[M+K]+ 327.15682 170.3
[M+H-H2O]+ 271.19092 166.8
[M+HCOO]- 333.19186 177.8
[M+CH3COO]- 347.20751 191.7
[M+Na-2H]- 309.16833 169.5
[M]+ 288.19311 164.8
[M]- 288.19421 164.8
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.