CID 135854960

Brn 0156343

Structural Information

Molecular Formula
C10H17N3O
SMILES
CCCCCC1=C(N=C(NC1=O)C)N
InChI
InChI=1S/C10H17N3O/c1-3-4-5-6-8-9(11)12-7(2)13-10(8)14/h3-6H2,1-2H3,(H3,11,12,13,14)
InChIKey
KEFKNRXOLRNLKI-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 145.2
[M+Na]+ 218.126378 154.1
[M-H]- 194.129884 144.7
[M+NH4]+ 213.170983 161.5
[M+K]+ 234.100318 150.1
[M+H-H2O]+ 178.134420 138.0
[M+HCOO]- 240.135361 166.1
[M+CH3COO]- 254.151011 186.1
[M+Na-2H]- 216.111826 149.4
[M]+ 195.13661142 144.7
[M]- 195.13770858 144.7
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

No patent data available for this compound.