CID 3275480

22264-19-3

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CCC(C)N1C(=O)CCC(=O)N1C(C)CC
InChI
InChI=1S/C12H22N2O2/c1-5-9(3)13-11(15)7-8-12(16)14(13)10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKey
WKDHKHBYZQXXLA-UHFFFAOYSA-N
Compound name
1,2-di(butan-2-yl)diazinane-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 153.9
[M+Na]+ 249.15734 159.9
[M-H]- 225.16084 154.2
[M+NH4]+ 244.20194 169.8
[M+K]+ 265.13128 158.5
[M+H-H2O]+ 209.16538 146.9
[M+HCOO]- 271.16632 169.4
[M+CH3COO]- 285.18197 194.4
[M+Na-2H]- 247.14279 153.2
[M]+ 226.16757 153.2
[M]- 226.16867 153.2
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.