CID 316282

2-chloro-4-methylpyrimidin-5-amine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
CC1=NC(=NC=C1N)Cl
InChI
InChI=1S/C5H6ClN3/c1-3-4(7)2-8-5(6)9-3/h2H,7H2,1H3
InChIKey
RZAKVHVZRSQZEQ-UHFFFAOYSA-N
Compound name
2-chloro-4-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

143.02502 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe