CID 79372

5395-50-6

Structural Information

Molecular Formula
C8H14N4O6
SMILES
C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O
InChI
InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
InChIKey
UUGLSEIATNSHRI-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3744
Patents

262.09134 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09862 157.6
[M+Na]+ 285.08056 166.6
[M-H]- 261.08406 152.7
[M+NH4]+ 280.12516 171.3
[M+K]+ 301.05450 163.9
[M+H-H2O]+ 245.08860 151.8
[M+HCOO]- 307.08954 169.5
[M+CH3COO]- 321.10519 188.1
[M+Na-2H]- 283.06601 155.6
[M]+ 262.09079 157.4
[M]- 262.09189 157.4
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