CID 3016733

81945-73-5

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

3758
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 110.9
[M+Na]+ 107.021582 120.4
[M-H]- 83.025088 110.9
[M+NH4]+ 102.066187 133.1
[M+K]+ 122.995522 119.8
[M+H-H2O]+ 67.029624 104.8
[M+HCOO]- 129.030565 134.3
[M+CH3COO]- 143.046215 158.1
[M+Na-2H]- 105.007030 119.4
[M]+ 84.03181542 109.9
[M]- 84.03291258 109.9
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