CID 82418088

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

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1=C(NNC1=O)CCCN
InChI
InChI=1S/C6H11N3O/c7-3-1-2-5-4-6(10)9-8-5/h4H,1-3,7H2,(H2,8,9,10)
InChIKey
HKUSMMLJSPSXCL-UHFFFAOYSA-N
Compound name
5-(3-aminopropyl)-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.6
[M+Na]+ 164.07943 136.6
[M-H]- 140.08293 126.6
[M+NH4]+ 159.12403 147.4
[M+K]+ 180.05337 133.1
[M+H-H2O]+ 124.08747 121.9
[M+HCOO]- 186.08841 150.0
[M+CH3COO]- 200.10406 169.1
[M+Na-2H]- 162.06488 133.5
[M]+ 141.08966 124.6
[M]- 141.09076 124.6
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.