CID 3020996

Cyclooctane-1,2,3-triol

Structural Information

Molecular Formula
C8H16O3
SMILES
C1CCC(C(C(CC1)O)O)O
InChI
InChI=1S/C8H16O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6-11H,1-5H2
InChIKey
JABDUNXUMGVHJU-UHFFFAOYSA-N
Compound name
cyclooctane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

160.10994 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 143.3
[M+Na]+ 183.099158 147.6
[M-H]- 159.102664 143.4
[M+NH4]+ 178.143763 152.0
[M+K]+ 199.073098 147.8
[M+H-H2O]+ 143.107200 140.5
[M+HCOO]- 205.108141 150.8
[M+CH3COO]- 219.123791 216.4
[M+Na-2H]- 181.084606 143.2
[M]+ 160.10939142 140.6
[M]- 160.11048858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe