CID 22010870

3-(methylamino)-1-(4-methylpiperazin-1-yl)propan-1-one dihydrochloride

Structural Information

Molecular Formula
C9H19N3O
SMILES
CNCCC(=O)N1CCN(CC1)C
InChI
InChI=1S/C9H19N3O/c1-10-4-3-9(13)12-7-5-11(2)6-8-12/h10H,3-8H2,1-2H3
InChIKey
YWIINESWJWUPGZ-UHFFFAOYSA-N
Compound name
3-(methylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 144.9
[M+Na]+ 208.14204 149.4
[M-H]- 184.14554 144.8
[M+NH4]+ 203.18664 161.7
[M+K]+ 224.11598 148.3
[M+H-H2O]+ 168.15008 137.2
[M+HCOO]- 230.15102 162.9
[M+CH3COO]- 244.16667 185.1
[M+Na-2H]- 206.12749 148.5
[M]+ 185.15227 141.2
[M]- 185.15337 141.2
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