CID 7017136

2-(4-nitro-1h-pyrazol-1-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8N4O2
SMILES
C1=C(C=NN1CCN)[N+](=O)[O-]
InChI
InChI=1S/C5H8N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,1-2,6H2
InChIKey
GZTQKSKBFGFMNR-UHFFFAOYSA-N
Compound name
2-(4-nitropyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

156.06473 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 127.9
[M+Na]+ 179.05395 135.7
[M-H]- 155.05745 129.1
[M+NH4]+ 174.09855 146.7
[M+K]+ 195.02789 130.7
[M+H-H2O]+ 139.06199 125.3
[M+HCOO]- 201.06293 153.6
[M+CH3COO]- 215.07858 171.1
[M+Na-2H]- 177.03940 136.2
[M]+ 156.06418 125.3
[M]- 156.06528 125.3
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