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]+ 186.160096 144.9
[M+Na]+ 208.142038 149.4
[M-H]- 184.145544 144.8
[M+NH4]+ 203.186643 161.7
[M+K]+ 224.115978 148.3
[M+H-H2O]+ 168.150080 137.2
[M+HCOO]- 230.151021 162.9
[M+CH3COO]- 244.166671 185.1
[M+Na-2H]- 206.127486 148.5
[M]+ 185.15227142 141.2
[M]- 185.15336858 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