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]+ 159.04320 130.0
[M+Na]+ 181.02514 140.1
[M-H]- 157.02864 130.5
[M+NH4]+ 176.06974 148.4
[M+K]+ 196.99908 136.1
[M+H-H2O]+ 141.03318 123.7
[M+HCOO]- 203.03412 149.4
[M+CH3COO]- 217.04977 179.2
[M+Na-2H]- 179.01059 137.0
[M]+ 158.03537 128.6
[M]- 158.03647 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