CID 219785

4-hydrazinyl-1-methyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C6H8N6
SMILES
CN1C2=NC=NC(=C2C=N1)NN
InChI
InChI=1S/C6H8N6/c1-12-6-4(2-10-12)5(11-7)8-3-9-6/h2-3H,7H2,1H3,(H,8,9,11)
InChIKey
DZCWBKIIPGWKNI-UHFFFAOYSA-N
Compound name
(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

164.08104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08832 131.0
[M+Na]+ 187.07026 142.5
[M-H]- 163.07376 131.2
[M+NH4]+ 182.11486 148.9
[M+K]+ 203.04420 139.3
[M+H-H2O]+ 147.07830 122.6
[M+HCOO]- 209.07924 154.9
[M+CH3COO]- 223.09489 144.5
[M+Na-2H]- 185.05571 140.9
[M]+ 164.08049 131.4
[M]- 164.08159 131.4
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

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