CID 55290315

5-(1-aminoethyl)-2,3-dihydro-1h-pyrazol-3-one dihydrochloride

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC(C1=CC(=O)NN1)N
InChI
InChI=1S/C5H9N3O/c1-3(6)4-2-5(9)8-7-4/h2-3H,6H2,1H3,(H2,7,8,9)
InChIKey
WIMQLASIBZZYEZ-UHFFFAOYSA-N
Compound name
5-(1-aminoethyl)-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.07456 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 124.9
[M+Na]+ 150.063778 133.1
[M-H]- 126.067284 123.3
[M+NH4]+ 145.108383 144.3
[M+K]+ 166.037718 130.4
[M+H-H2O]+ 110.071820 118.5
[M+HCOO]- 172.072761 145.7
[M+CH3COO]- 186.088411 166.9
[M+Na-2H]- 148.049226 129.1
[M]+ 127.07401142 120.0
[M]- 127.07510858 120.0
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

No patent data available for this compound.