CID 83851788

4-(aminomethyl)-6-chloropyrimidin-2-amine dihydrochloride

Structural Information

Molecular Formula
C5H7ClN4
SMILES
C1=C(N=C(N=C1Cl)N)CN
InChI
InChI=1S/C5H7ClN4/c6-4-1-3(2-7)9-5(8)10-4/h1H,2,7H2,(H2,8,9,10)
InChIKey
UUXNKHGCDRXEFZ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-6-chloropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.03592 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.043196 130.0
[M+Na]+ 181.025138 140.1
[M-H]- 157.028644 130.5
[M+NH4]+ 176.069743 148.4
[M+K]+ 196.999078 136.1
[M+H-H2O]+ 141.033180 123.7
[M+HCOO]- 203.034121 149.4
[M+CH3COO]- 217.049771 179.2
[M+Na-2H]- 179.010586 137.0
[M]+ 158.03537142 128.6
[M]- 158.03646858 128.6
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