CID 3016733

1h-pyrazol-1-ol

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1=CN(N=C1)O
InChI
InChI=1S/C3H4N2O/c6-5-3-1-2-4-5/h1-3,6H
InChIKey
QVCIPIYWPSPRFA-UHFFFAOYSA-N
Compound name
1-hydroxypyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1727
Patents

84.032364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 111.9
[M+Na]+ 107.02158 123.5
[M+NH4]+ 102.06619 120.2
[M+K]+ 122.99552 120.5
[M-H]- 83.025088 111.8
[M+Na-2H]- 105.00703 118.3
[M]+ 84.031815 113.3
[M]- 84.032913 113.3
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