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]+ 142.097486 128.6
[M+Na]+ 164.079428 136.6
[M-H]- 140.082934 126.6
[M+NH4]+ 159.124033 147.4
[M+K]+ 180.053368 133.1
[M+H-H2O]+ 124.087470 121.9
[M+HCOO]- 186.088411 150.0
[M+CH3COO]- 200.104061 169.1
[M+Na-2H]- 162.064876 133.5
[M]+ 141.08966142 124.6
[M]- 141.09075858 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.