CID 92988

Glyoxal trimer dihydrate

Structural Information

Molecular Formula
C6H10O8
SMILES
C1(C(OC2C(O1)OC(C(O2)O)O)O)O
InChI
InChI=1S/C6H10O8/c7-1-2(8)12-6-5(11-1)13-3(9)4(10)14-6/h1-10H
InChIKey
BDSPTFQIOAEIII-UHFFFAOYSA-N
Compound name
2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

508
Patents

210.03757 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04485 140.5
[M+Na]+ 233.02679 147.0
[M-H]- 209.03029 142.5
[M+NH4]+ 228.07139 152.3
[M+K]+ 249.00073 150.4
[M+H-H2O]+ 193.03483 135.5
[M+HCOO]- 255.03577 150.2
[M+CH3COO]- 269.05142 176.8
[M+Na-2H]- 231.01224 147.8
[M]+ 210.03702 139.9
[M]- 210.03812 139.9
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