CID 2574890

Dtxsid00660042

Structural Information

Molecular Formula
C8H17N3O
SMILES
CNCC(=O)N1CCN(CC1)C
InChI
InChI=1S/C8H17N3O/c1-9-7-8(12)11-5-3-10(2)4-6-11/h9H,3-7H2,1-2H3
InChIKey
CKRGUQFETZTMME-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

171.13716 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 140.5
[M+Na]+ 194.126378 145.4
[M-H]- 170.129884 140.5
[M+NH4]+ 189.170983 157.8
[M+K]+ 210.100318 144.5
[M+H-H2O]+ 154.134420 132.9
[M+HCOO]- 216.135361 158.8
[M+CH3COO]- 230.151011 182.1
[M+Na-2H]- 192.111826 144.6
[M]+ 171.13661142 136.4
[M]- 171.13770858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe