CID 20324

5-sec-butyl-1,5-dimethylbarbituric acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 148.7
[M+Na]+ 235.10531 158.6
[M+NH4]+ 230.14991 155.3
[M+K]+ 251.07925 153.0
[M-H]- 211.10881 146.9
[M+Na-2H]- 233.09076 151.6
[M]+ 212.11554 149.3
[M]- 212.11664 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.