CID 54593057

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CC1(C(=O)NC(=O)N1CC#N)C
InChI
InChI=1S/C7H9N3O2/c1-7(2)5(11)9-6(12)10(7)4-3-8/h4H2,1-2H3,(H,9,11,12)
InChIKey
ZPPPTNFEUBIOKO-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 129.6
[M+Na]+ 190.05869 140.9
[M-H]- 166.06219 129.6
[M+NH4]+ 185.10329 148.7
[M+K]+ 206.03263 138.2
[M+H-H2O]+ 150.06673 117.6
[M+HCOO]- 212.06767 146.1
[M+CH3COO]- 226.08332 188.3
[M+Na-2H]- 188.04414 133.5
[M]+ 167.06892 123.7
[M]- 167.07002 123.7
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

No patent data available for this compound.