CID 10608259

(2xi,3xi,6e)-3,7-dimethyl-6-octene-1,2,3,8-tetrol

Structural Information

Molecular Formula
C10H20O4
SMILES
C/C(=C\CCC(C)(C(CO)O)O)/CO
InChI
InChI=1S/C10H20O4/c1-8(6-11)4-3-5-10(2,14)9(13)7-12/h4,9,11-14H,3,5-7H2,1-2H3/b8-4+
InChIKey
WLZNCAXWAFHRLP-XBXARRHUSA-N
Compound name
(E)-3,7-dimethyloct-6-ene-1,2,3,8-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 150.5
[M+Na]+ 227.12537 154.5
[M-H]- 203.12887 144.7
[M+NH4]+ 222.16997 166.7
[M+K]+ 243.09931 152.3
[M+H-H2O]+ 187.13341 146.4
[M+HCOO]- 249.13435 164.5
[M+CH3COO]- 263.15000 177.5
[M+Na-2H]- 225.11082 151.5
[M]+ 204.13560 148.8
[M]- 204.13670 148.8
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.