CID 178244285

N-(1h-pyrazole-4-carbonyl)methanimine oxide

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C=[N+](C(=O)C1=CNN=C1)[O-]
InChI
InChI=1S/C5H5N3O2/c1-8(10)5(9)4-2-6-7-3-4/h2-3H,1H2,(H,6,7)
InChIKey
SGDKCARQIMJERB-UHFFFAOYSA-N
Compound name
N-(1H-pyrazole-4-carbonyl)methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.03818 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.045456 125.0
[M+Na]+ 162.027398 132.5
[M-H]- 138.030904 125.1
[M+NH4]+ 157.072003 144.0
[M+K]+ 178.001338 127.0
[M+H-H2O]+ 122.035440 123.0
[M+HCOO]- 184.036381 148.0
[M+CH3COO]- 198.052031 162.2
[M+Na-2H]- 160.012846 132.7
[M]+ 139.03763142 120.5
[M]- 139.03872858 120.5
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.