CID 3025147

Brn 0150506

Structural Information

Molecular Formula
C9H14ClN3
SMILES
CCCCC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C9H14ClN3/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3,(H2,11,12,13)
InChIKey
GKQYZHWWZGNONQ-UHFFFAOYSA-N
Compound name
5-butyl-6-chloro-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09491 142.4
[M+Na]+ 222.07685 156.2
[M+NH4]+ 217.12145 150.5
[M+K]+ 238.05079 149.0
[M-H]- 198.08035 144.3
[M+Na-2H]- 220.06230 148.9
[M]+ 199.08708 145.1
[M]- 199.08818 145.1
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.