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]+ 198.12370 141.7
[M+Na]+ 220.10564 152.6
[M-H]- 196.10914 143.3
[M+NH4]+ 215.15024 158.9
[M+K]+ 236.07958 149.7
[M+H-H2O]+ 180.11368 134.7
[M+HCOO]- 242.11462 164.8
[M+CH3COO]- 256.13027 188.2
[M+Na-2H]- 218.09109 146.3
[M]+ 197.11587 144.0
[M]- 197.11697 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