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

1
Patents

178.0603 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.067576 133.0
[M+Na]+ 201.049518 143.1
[M-H]- 177.053024 131.8
[M+NH4]+ 196.094123 149.1
[M+K]+ 217.023458 139.6
[M+H-H2O]+ 161.057560 124.7
[M+HCOO]- 223.058501 154.9
[M+CH3COO]- 237.074151 145.4
[M+Na-2H]- 199.034966 142.3
[M]+ 178.05975142 131.3
[M]- 178.06084858 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

patents stripe