CID 15382184

7-methyl-3-methylideneoctane-1,2,6,7-tetrol

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
1
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]+ 205.143426 149.9
[M+Na]+ 227.125368 153.6
[M-H]- 203.128874 144.2
[M+NH4]+ 222.169973 166.0
[M+K]+ 243.099308 152.0
[M+H-H2O]+ 187.133410 145.9
[M+HCOO]- 249.134351 162.9
[M+CH3COO]- 263.150001 179.1
[M+Na-2H]- 225.110816 149.7
[M]+ 204.13560142 147.6
[M]- 204.13669858 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.