CID 23009801

933741-78-7

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC1=NNC(=O)C1CCN
InChI
InChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h5H,2-3,7H2,1H3,(H,9,10)
InChIKey
ASEMWMLOGSUFFL-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 129.6
[M+Na]+ 164.07943 138.0
[M-H]- 140.08293 129.0
[M+NH4]+ 159.12403 149.4
[M+K]+ 180.05337 135.6
[M+H-H2O]+ 124.08747 123.0
[M+HCOO]- 186.08841 151.0
[M+CH3COO]- 200.10406 173.1
[M+Na-2H]- 162.06488 133.3
[M]+ 141.08966 126.5
[M]- 141.09076 126.5
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.