CID 135401879

120267-11-0

Structural Information

Molecular Formula
C6H6N4O2
SMILES
C1=C2C(=C(NC1=O)O)C(=NN2)N
InChI
InChI=1S/C6H6N4O2/c7-5-4-2(9-10-5)1-3(11)8-6(4)12/h1H,(H3,7,9,10)(H2,8,11,12)
InChIKey
RWHCQACUVWSYNC-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-1,5-dihydropyrazolo[4,3-c]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

166.04907 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 130.5
[M+Na]+ 189.03829 142.5
[M-H]- 165.04179 128.4
[M+NH4]+ 184.08289 148.0
[M+K]+ 205.01223 137.4
[M+H-H2O]+ 149.04633 124.1
[M+HCOO]- 211.04727 150.7
[M+CH3COO]- 225.06292 143.3
[M+Na-2H]- 187.02374 137.6
[M]+ 166.04852 128.1
[M]- 166.04962 128.1
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