CID 222075

4-chloro-6-hydrazinylpyrimidin-5-amine

Structural Information

Molecular Formula
C4H6ClN5
SMILES
C1=NC(=C(C(=N1)Cl)N)NN
InChI
InChI=1S/C4H6ClN5/c5-3-2(6)4(10-7)9-1-8-3/h1H,6-7H2,(H,8,9,10)
InChIKey
ROYDODCAYOBXEU-UHFFFAOYSA-N
Compound name
4-chloro-6-hydrazinylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.03117 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.038446 129.4
[M+Na]+ 182.020388 139.0
[M-H]- 158.023894 130.1
[M+NH4]+ 177.064993 147.4
[M+K]+ 197.994328 135.2
[M+H-H2O]+ 142.028430 122.8
[M+HCOO]- 204.029371 150.1
[M+CH3COO]- 218.045021 181.3
[M+Na-2H]- 180.005836 137.2
[M]+ 159.03062142 126.9
[M]- 159.03171858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe