CID 82418866

2-amino-1-(1h-pyrazol-5-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=C(NN=C1)C(=O)CN
InChI
InChI=1S/C5H7N3O/c6-3-5(9)4-1-2-7-8-4/h1-2H,3,6H2,(H,7,8)
InChIKey
DSWDYAILKBBAGZ-UHFFFAOYSA-N
Compound name
2-amino-1-(1H-pyrazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.058914 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 123.7
[M+Na]+ 148.048132 131.4
[M-H]- 124.051638 123.0
[M+NH4]+ 143.092737 143.5
[M+K]+ 164.022072 129.6
[M+H-H2O]+ 108.056174 116.7
[M+HCOO]- 170.057115 146.0
[M+CH3COO]- 184.072765 168.2
[M+Na-2H]- 146.033580 129.2
[M]+ 125.05836542 120.2
[M]- 125.05946258 120.2
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