CID 312629

2-chloro-6-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
CC1=CC(=NC(=N1)Cl)N
InChI
InChI=1S/C5H6ClN3/c1-3-2-4(7)9-5(6)8-3/h2H,1H3,(H2,7,8,9)
InChIKey
FBEIDYLEFVIOEY-UHFFFAOYSA-N
Compound name
2-chloro-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

143.02502 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 125.1
[M+Na]+ 166.014238 136.0
[M-H]- 142.017744 126.1
[M+NH4]+ 161.058843 144.7
[M+K]+ 181.988178 132.5
[M+H-H2O]+ 126.022280 119.1
[M+HCOO]- 188.023221 144.0
[M+CH3COO]- 202.038871 174.8
[M+Na-2H]- 163.999686 132.8
[M]+ 143.02447142 125.3
[M]- 143.02556858 125.3
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

patents stripe