CID 106245

67953-33-7

Structural Information

Molecular Formula
C6H10N4O4
SMILES
C(N1C2C(NC(=O)N2)N(C1=O)CO)O
InChI
InChI=1S/C6H10N4O4/c11-1-9-3-4(8-5(13)7-3)10(2-12)6(9)14/h3-4,11-12H,1-2H2,(H2,7,8,13)
InChIKey
ZAXSFKZSBBWKKM-UHFFFAOYSA-N
Compound name
4,6-bis(hydroxymethyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

202.0702 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07748 144.8
[M+Na]+ 225.05942 150.9
[M+NH4]+ 220.10402 148.2
[M+K]+ 241.03336 153.3
[M-H]- 201.06292 139.3
[M+Na-2H]- 223.04487 141.9
[M]+ 202.06965 143.1
[M]- 202.07075 143.1
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