CID 309479

6-chloro-n-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
CNC1=CC(=NC=N1)Cl
InChI
InChI=1S/C5H6ClN3/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
WZVLJUBTIWFTIE-UHFFFAOYSA-N
Compound name
6-chloro-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

143.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 124.4
[M+Na]+ 166.014238 134.4
[M-H]- 142.017744 125.5
[M+NH4]+ 161.058843 144.0
[M+K]+ 181.988178 131.2
[M+H-H2O]+ 126.022280 118.1
[M+HCOO]- 188.023221 144.0
[M+CH3COO]- 202.038871 174.4
[M+Na-2H]- 163.999686 134.0
[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