CID 23875

Barbituric acid, 5-sec-butyl-1,3-dimethyl-

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

10
Patents

212.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 144.9
[M+Na]+ 235.105308 154.1
[M-H]- 211.108814 146.3
[M+NH4]+ 230.149913 161.9
[M+K]+ 251.079248 152.6
[M+H-H2O]+ 195.113350 138.7
[M+HCOO]- 257.114291 162.4
[M+CH3COO]- 271.129941 191.3
[M+Na-2H]- 233.090756 145.2
[M]+ 212.11554142 145.6
[M]- 212.11663858 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