CID 55290776

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

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=C(NNC1=O)CCN
InChI
InChI=1S/C5H9N3O/c6-2-1-4-3-5(9)8-7-4/h3H,1-2,6H2,(H2,7,8,9)
InChIKey
PLOSFZSRWGGYMQ-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.07456 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 124.1
[M+Na]+ 150.063778 132.6
[M-H]- 126.067284 122.3
[M+NH4]+ 145.108383 143.6
[M+K]+ 166.037718 129.4
[M+H-H2O]+ 110.071820 117.6
[M+HCOO]- 172.072761 145.9
[M+CH3COO]- 186.088411 166.1
[M+Na-2H]- 148.049226 129.6
[M]+ 127.07401142 119.8
[M]- 127.07510858 119.8
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