CID 107241

1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C10H20N2O
SMILES
CCC(=O)N1CC(N(C(C1)C)C)C
InChI
InChI=1S/C10H20N2O/c1-5-10(13)12-6-8(2)11(4)9(3)7-12/h8-9H,5-7H2,1-4H3
InChIKey
HIVLUCCOZZYOEF-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 144.2
[M+Na]+ 207.14678 151.1
[M-H]- 183.15028 144.8
[M+NH4]+ 202.19138 162.1
[M+K]+ 223.12072 149.8
[M+H-H2O]+ 167.15482 137.4
[M+HCOO]- 229.15576 160.8
[M+CH3COO]- 243.17141 185.6
[M+Na-2H]- 205.13223 145.6
[M]+ 184.15701 142.4
[M]- 184.15811 142.4
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

No patent data available for this compound.