CID 178244180

3-(hydroxyamino)-5-methyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C4H7N3O2
SMILES
CC1=C(C(=NN1)NO)O
InChI
InChI=1S/C4H7N3O2/c1-2-3(8)4(7-9)6-5-2/h8-9H,1H3,(H2,5,6,7)
InChIKey
HUWKGTWMUGRIQD-UHFFFAOYSA-N
Compound name
3-(hydroxyamino)-5-methyl-1H-pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 123.4
[M+Na]+ 152.043048 132.4
[M-H]- 128.046554 121.2
[M+NH4]+ 147.087653 142.6
[M+K]+ 168.016988 130.0
[M+H-H2O]+ 112.051090 117.4
[M+HCOO]- 174.052031 144.6
[M+CH3COO]- 188.067681 165.3
[M+Na-2H]- 150.028496 129.2
[M]+ 129.05328142 120.4
[M]- 129.05437858 120.4
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.