CID 39237981

2-[2-(4-methylpiperazin-1-yl)ethoxy]ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C9H21N3O
SMILES
CN1CCN(CC1)CCOCCN
InChI
InChI=1S/C9H21N3O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-10H2,1H3
InChIKey
GGEXMRSHECRBJZ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.16846 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.17574 145.8
[M+Na]+ 210.15768 150.2
[M-H]- 186.16118 144.9
[M+NH4]+ 205.20228 162.3
[M+K]+ 226.13162 148.8
[M+H-H2O]+ 170.16572 137.8
[M+HCOO]- 232.16666 164.0
[M+CH3COO]- 246.18231 185.1
[M+Na-2H]- 208.14313 149.5
[M]+ 187.16791 142.5
[M]- 187.16901 142.5
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