CID 23875

7391-63-1

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCC(C)C1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C10H16N2O3/c1-5-6(2)7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3
InChIKey
LXEIFFQUCUFHQP-UHFFFAOYSA-N
Compound name
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

212.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 144.9
[M+Na]+ 235.10531 154.1
[M-H]- 211.10881 146.3
[M+NH4]+ 230.14991 161.9
[M+K]+ 251.07925 152.6
[M+H-H2O]+ 195.11335 138.7
[M+HCOO]- 257.11429 162.4
[M+CH3COO]- 271.12994 191.3
[M+Na-2H]- 233.09076 145.2
[M]+ 212.11554 145.6
[M]- 212.11664 145.6
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

patents stripe