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]+ 196.14444 145.2
[M+Na]+ 218.12638 154.1
[M-H]- 194.12988 144.7
[M+NH4]+ 213.17098 161.5
[M+K]+ 234.10032 150.1
[M+H-H2O]+ 178.13442 138.0
[M+HCOO]- 240.13536 166.1
[M+CH3COO]- 254.15101 186.1
[M+Na-2H]- 216.11183 149.4
[M]+ 195.13661 144.7
[M]- 195.13771 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.