CID 238012

4-amino-6-chloropyrimidine

Structural Information

Molecular Formula
C4H4ClN3
SMILES
C1=C(N=CN=C1Cl)N
InChI
InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChIKey
DUKKRSPKJMHASP-UHFFFAOYSA-N
Compound name
6-chloropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1297
Patents

129.00937 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.01665 119.5
[M+Na]+ 151.99859 133.6
[M+NH4]+ 147.04319 128.4
[M+K]+ 167.97253 127.2
[M-H]- 128.00209 121.4
[M+Na-2H]- 149.98404 127.8
[M]+ 129.00882 122.2
[M]- 129.00992 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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