CID 40176586

2-(3-nitro-1h-pyrazol-1-yl)acetamide

Structural Information

Molecular Formula
C5H6N4O3
SMILES
C1=CN(N=C1[N+](=O)[O-])CC(=O)N
InChI
InChI=1S/C5H6N4O3/c6-4(10)3-8-2-1-5(7-8)9(11)12/h1-2H,3H2,(H2,6,10)
InChIKey
KXXJNFRHZOLKOE-UHFFFAOYSA-N
Compound name
2-(3-nitropyrazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.04399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.051266 129.9
[M+Na]+ 193.033208 137.5
[M-H]- 169.036714 131.2
[M+NH4]+ 188.077813 147.8
[M+K]+ 209.007148 132.8
[M+H-H2O]+ 153.041250 127.3
[M+HCOO]- 215.042191 154.9
[M+CH3COO]- 229.057841 172.8
[M+Na-2H]- 191.018656 137.2
[M]+ 170.04344142 127.2
[M]- 170.04453858 127.2
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