CID 40592

Nsc 27276

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCCC(C)C1(C(=O)NC(=O)NC1=O)C
InChI
InChI=1S/C10H16N2O3/c1-4-5-6(2)10(3)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
IMOLACLDLQJJNZ-UHFFFAOYSA-N
Compound name
5-methyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 147.0
[M+Na]+ 235.10531 154.4
[M-H]- 211.10881 145.2
[M+NH4]+ 230.14991 164.0
[M+K]+ 251.07925 151.5
[M+H-H2O]+ 195.11335 141.7
[M+HCOO]- 257.11429 161.5
[M+CH3COO]- 271.12994 183.3
[M+Na-2H]- 233.09076 148.9
[M]+ 212.11554 143.5
[M]- 212.11664 143.5
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.