CID 66908

1-piperazineethanamine, n,n,4-trimethyl-

Structural Information

Molecular Formula
C9H21N3
SMILES
CN1CCN(CC1)CCN(C)C
InChI
InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
InChIKey
XFLSMWXCZBIXLV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7245
Patents

171.17355 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 142.4
[M+Na]+ 194.162768 146.9
[M-H]- 170.166274 143.6
[M+NH4]+ 189.207373 160.5
[M+K]+ 210.136708 146.9
[M+H-H2O]+ 154.170810 134.4
[M+HCOO]- 216.171751 161.4
[M+CH3COO]- 230.187401 187.3
[M+Na-2H]- 192.148216 146.4
[M]+ 171.17300142 139.9
[M]- 171.17409858 139.9
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