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

24
Patents

185.15282 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 145.4
[M+Na]+ 208.142038 149.9
[M-H]- 184.145544 144.7
[M+NH4]+ 203.186643 161.9
[M+K]+ 224.115978 148.4
[M+H-H2O]+ 168.150080 137.7
[M+HCOO]- 230.151021 162.8
[M+CH3COO]- 244.166671 184.4
[M+Na-2H]- 206.127486 147.9
[M]+ 185.15227142 140.7
[M]- 185.15336858 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