CID 135419068

4038-49-7

Structural Information

Molecular Formula
C10H17N3O
SMILES
CC1=C(C(=O)NC(=N1)N)CCC(C)C
InChI
InChI=1S/C10H17N3O/c1-6(2)4-5-8-7(3)12-10(11)13-9(8)14/h6H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKey
JYAWAWILSOXYDB-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

195.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 145.4
[M+Na]+ 218.126378 154.1
[M-H]- 194.129884 145.1
[M+NH4]+ 213.170983 161.7
[M+K]+ 234.100318 150.6
[M+H-H2O]+ 178.134420 138.4
[M+HCOO]- 240.135361 165.3
[M+CH3COO]- 254.151011 187.0
[M+Na-2H]- 216.111826 148.5
[M]+ 195.13661142 144.4
[M]- 195.13770858 144.4
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

No patent data available for this compound.