CID 21298827

2-(chloromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=CN=C(N=C1N)CCl
InChI
InChI=1S/C5H6ClN3/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2,(H2,7,8,9)
InChIKey
JWAQENUKTAOJST-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

143.02502 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 124.8
[M+Na]+ 166.014238 134.8
[M-H]- 142.017744 125.5
[M+NH4]+ 161.058843 144.2
[M+K]+ 181.988178 131.3
[M+H-H2O]+ 126.022280 118.6
[M+HCOO]- 188.023221 143.8
[M+CH3COO]- 202.038871 173.7
[M+Na-2H]- 163.999686 133.4
[M]+ 143.02447142 124.7
[M]- 143.02556858 124.7
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