CID 16792591

1-(4-(3-aminopropyl)piperazin-1-yl)ethanone

Structural Information

Molecular Formula
C9H19N3O
SMILES
CC(=O)N1CCN(CC1)CCCN
InChI
InChI=1S/C9H19N3O/c1-9(13)12-7-5-11(6-8-12)4-2-3-10/h2-8,10H2,1H3
InChIKey
RSXHTKGIQPDYQI-UHFFFAOYSA-N
Compound name
1-[4-(3-aminopropyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.15282 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 145.4
[M+Na]+ 208.14204 149.9
[M-H]- 184.14554 144.7
[M+NH4]+ 203.18664 161.9
[M+K]+ 224.11598 148.4
[M+H-H2O]+ 168.15008 137.7
[M+HCOO]- 230.15102 162.8
[M+CH3COO]- 244.16667 184.4
[M+Na-2H]- 206.12749 147.9
[M]+ 185.15227 140.7
[M]- 185.15337 140.7
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