CID 4962074

2-(piperazin-1-yl)-n-propylacetamidedihydrochloride

Structural Information

Molecular Formula
C9H19N3O
SMILES
CCCNC(=O)CN1CCNCC1
InChI
InChI=1S/C9H19N3O/c1-2-3-11-9(13)8-12-6-4-10-5-7-12/h10H,2-8H2,1H3,(H,11,13)
InChIKey
RFHNUQVGWJTISN-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

185.15282 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 145.4
[M+Na]+ 208.14204 148.5
[M-H]- 184.14554 143.5
[M+NH4]+ 203.18664 161.1
[M+K]+ 224.11598 146.5
[M+H-H2O]+ 168.15008 137.6
[M+HCOO]- 230.15102 161.9
[M+CH3COO]- 244.16667 181.4
[M+Na-2H]- 206.12749 149.2
[M]+ 185.15227 139.4
[M]- 185.15337 139.4
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