CID 146002

1-nitropyrazole

Structural Information

Molecular Formula
C3H3N3O2
SMILES
C1=CN(N=C1)[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O2/c7-6(8)5-3-1-2-4-5/h1-3H
InChIKey
TYNVOQYGXDUHRX-UHFFFAOYSA-N
Compound name
1-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

760
Patents

113.02253 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.02981 115.9
[M+Na]+ 136.01175 128.1
[M+NH4]+ 131.05635 123.9
[M+K]+ 151.98569 127.7
[M-H]- 112.01525 117.2
[M+Na-2H]- 133.99720 122.2
[M]+ 113.02198 117.6
[M]- 113.02308 117.6
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