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]+ 171.05127 129.9
[M+Na]+ 193.03321 137.5
[M-H]- 169.03671 131.2
[M+NH4]+ 188.07781 147.8
[M+K]+ 209.00715 132.8
[M+H-H2O]+ 153.04125 127.3
[M+HCOO]- 215.04219 154.9
[M+CH3COO]- 229.05784 172.8
[M+Na-2H]- 191.01866 137.2
[M]+ 170.04344 127.2
[M]- 170.04454 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