CID 2357152

53681-50-8

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCCCN1C(=CC(=O)N(C1=O)C)N
InChI
InChI=1S/C9H15N3O2/c1-3-4-5-12-7(10)6-8(13)11(2)9(12)14/h6H,3-5,10H2,1-2H3
InChIKey
MKJULKCPESFFJU-UHFFFAOYSA-N
Compound name
6-amino-1-butyl-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 141.7
[M+Na]+ 220.105638 152.6
[M-H]- 196.109144 143.3
[M+NH4]+ 215.150243 158.9
[M+K]+ 236.079578 149.7
[M+H-H2O]+ 180.113680 134.7
[M+HCOO]- 242.114621 164.8
[M+CH3COO]- 256.130271 188.2
[M+Na-2H]- 218.091086 146.3
[M]+ 197.11587142 144.0
[M]- 197.11696858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe