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]+ 205.143426 150.5
[M+Na]+ 227.125368 154.5
[M-H]- 203.128874 144.7
[M+NH4]+ 222.169973 166.7
[M+K]+ 243.099308 152.3
[M+H-H2O]+ 187.133410 146.4
[M+HCOO]- 249.134351 164.5
[M+CH3COO]- 263.150001 177.5
[M+Na-2H]- 225.110816 151.5
[M]+ 204.13560142 148.8
[M]- 204.13669858 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.