CID 130483671

2-butyl-4-methylpyrimidin-5-amine

Structural Information

Molecular Formula
C9H15N3
SMILES
CCCCC1=NC=C(C(=N1)C)N
InChI
InChI=1S/C9H15N3/c1-3-4-5-9-11-6-8(10)7(2)12-9/h6H,3-5,10H2,1-2H3
InChIKey
OTNNWCACMWDIOD-UHFFFAOYSA-N
Compound name
2-butyl-4-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 136.7
[M+Na]+ 188.11582 149.4
[M+NH4]+ 183.16042 144.6
[M+K]+ 204.08976 142.8
[M-H]- 164.11932 138.6
[M+Na-2H]- 186.10127 143.4
[M]+ 165.12605 138.9
[M]- 165.12715 138.9
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.