CID 119095139

7h-purine-6-carbohydrazide

Structural Information

Molecular Formula
C6H6N6O
SMILES
C1=NC2=NC=NC(=C2N1)C(=O)NN
InChI
InChI=1S/C6H6N6O/c7-12-6(13)4-3-5(10-1-8-3)11-2-9-4/h1-2H,7H2,(H,12,13)(H,8,9,10,11)
InChIKey
RGYOBLPIWGOBMK-UHFFFAOYSA-N
Compound name
7H-purine-6-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0603 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06758 133.0
[M+Na]+ 201.04952 143.1
[M-H]- 177.05302 131.8
[M+NH4]+ 196.09412 149.1
[M+K]+ 217.02346 139.6
[M+H-H2O]+ 161.05756 124.7
[M+HCOO]- 223.05850 154.9
[M+CH3COO]- 237.07415 145.4
[M+Na-2H]- 199.03497 142.3
[M]+ 178.05975 131.3
[M]- 178.06085 131.3
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

No patent data available for this compound.