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]+ 128.08184 124.1
[M+Na]+ 150.06378 132.6
[M-H]- 126.06728 122.3
[M+NH4]+ 145.10838 143.6
[M+K]+ 166.03772 129.4
[M+H-H2O]+ 110.07182 117.6
[M+HCOO]- 172.07276 145.9
[M+CH3COO]- 186.08841 166.1
[M+Na-2H]- 148.04923 129.6
[M]+ 127.07401 119.8
[M]- 127.07511 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