CID 3018772

Cyclooctane-1,2,3,4-tetrol

Structural Information

Molecular Formula
C8H16O4
SMILES
C1CCC(C(C(C(C1)O)O)O)O
InChI
InChI=1S/C8H16O4/c9-5-3-1-2-4-6(10)8(12)7(5)11/h5-12H,1-4H2
InChIKey
CYTKGVLSBVTIQY-UHFFFAOYSA-N
Compound name
cyclooctane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.10486 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 145.3
[M+Na]+ 199.094078 149.8
[M-H]- 175.097584 145.0
[M+NH4]+ 194.138683 153.5
[M+K]+ 215.068018 149.9
[M+H-H2O]+ 159.102120 142.6
[M+HCOO]- 221.103061 152.2
[M+CH3COO]- 235.118711 216.9
[M+Na-2H]- 197.079526 144.6
[M]+ 176.10431142 142.6
[M]- 176.10540858 142.6
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

patents stripe