CID 55290315

2060035-06-3

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]+ 128.08184 124.9
[M+Na]+ 150.06378 133.1
[M-H]- 126.06728 123.3
[M+NH4]+ 145.10838 144.3
[M+K]+ 166.03772 130.4
[M+H-H2O]+ 110.07182 118.5
[M+HCOO]- 172.07276 145.7
[M+CH3COO]- 186.08841 166.9
[M+Na-2H]- 148.04923 129.1
[M]+ 127.07401 120.0
[M]- 127.07511 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.