CID 119218

1h-pyrazol-4-ol

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1=C(C=NN1)O
InChI
InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)
InChIKey
KAUABWYBFARJAF-UHFFFAOYSA-N
Compound name
1H-pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

1783
Patents

84.032364 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 111.8
[M+Na]+ 107.02158 120.9
[M-H]- 83.025088 110.4
[M+NH4]+ 102.06619 133.4
[M+K]+ 122.99552 119.3
[M+H-H2O]+ 67.029624 105.9
[M+HCOO]- 129.03056 133.7
[M+CH3COO]- 143.04622 155.4
[M+Na-2H]- 105.00703 119.8
[M]+ 84.031815 108.9
[M]- 84.032913 108.9
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