CID 15382184

(2xi,6xi)-7-methyl-3-methylene-1,2,6,7-octanetetrol

Structural Information

Molecular Formula
C10H20O4
SMILES
CC(C)(C(CCC(=C)C(CO)O)O)O
InChI
InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3
InChIKey
GGDOZDCNLKHEMH-UHFFFAOYSA-N
Compound name
7-methyl-3-methylideneoctane-1,2,6,7-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 149.9
[M+Na]+ 227.12537 153.6
[M-H]- 203.12887 144.2
[M+NH4]+ 222.16997 166.0
[M+K]+ 243.09931 152.0
[M+H-H2O]+ 187.13341 145.9
[M+HCOO]- 249.13435 162.9
[M+CH3COO]- 263.15000 179.1
[M+Na-2H]- 225.11082 149.7
[M]+ 204.13560 147.6
[M]- 204.13670 147.6
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.