CID 71422234

1-oxo-4h-1lambda~5~-pyrazole

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1C=N[N+](=C1)[O-]
InChI
InChI=1S/C3H4N2O/c6-5-3-1-2-4-5/h2-3H,1H2
InChIKey
WFBGJVMKJZTLKK-UHFFFAOYSA-N
Compound name
1-oxido-4H-pyrazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

84.032364 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 111.2
[M+Na]+ 107.021582 120.5
[M-H]- 83.025088 111.3
[M+NH4]+ 102.066187 133.1
[M+K]+ 122.995522 115.7
[M+H-H2O]+ 67.029624 110.0
[M+HCOO]- 129.030565 135.2
[M+CH3COO]- 143.046215 151.3
[M+Na-2H]- 105.007030 121.7
[M]+ 84.03181542 108.2
[M]- 84.03291258 108.2
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

patents stripe