CID 253730

1-(propan-2-yl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(C)N1CCC(=O)NC1=O
InChI
InChI=1S/C7H12N2O2/c1-5(2)9-4-3-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11)
InChIKey
UUTAKONPWRIWRH-UHFFFAOYSA-N
Compound name
1-propan-2-yl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

156.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 133.5
[M+Na]+ 179.079088 140.5
[M-H]- 155.082594 132.8
[M+NH4]+ 174.123693 151.2
[M+K]+ 195.053028 138.9
[M+H-H2O]+ 139.087130 127.1
[M+HCOO]- 201.088071 150.1
[M+CH3COO]- 215.103721 174.6
[M+Na-2H]- 177.064536 136.7
[M]+ 156.08932142 129.2
[M]- 156.09041858 129.2
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