CID 34151

Diacetyldiurein

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC12C(NC(=O)N1)(NC(=O)N2)C
InChI
InChI=1S/C6H10N4O2/c1-5-6(2,9-3(11)7-5)10-4(12)8-5/h1-2H3,(H2,7,9,11)(H2,8,10,12)
InChIKey
HTMUAOILEIFUNM-UHFFFAOYSA-N
Compound name
3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

170.08037 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 137.1
[M+Na]+ 193.06959 143.7
[M+NH4]+ 188.11419 144.6
[M+K]+ 209.04353 141.3
[M-H]- 169.07309 132.4
[M+Na-2H]- 191.05504 138.9
[M]+ 170.07982 136.2
[M]- 170.08092 136.2
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