CID 43251672

2-(4-cyclopentanecarbonylpiperazin-1-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H23N3O
SMILES
C1CCC(C1)C(=O)N2CCN(CC2)CCN
InChI
InChI=1S/C12H23N3O/c13-5-6-14-7-9-15(10-8-14)12(16)11-3-1-2-4-11/h11H,1-10,13H2
InChIKey
RFVNNXJBTOUUQI-UHFFFAOYSA-N
Compound name
[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.18411 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.191386 156.3
[M+Na]+ 248.173328 158.5
[M-H]- 224.176834 158.0
[M+NH4]+ 243.217933 172.3
[M+K]+ 264.147268 156.2
[M+H-H2O]+ 208.181370 147.4
[M+HCOO]- 270.182311 172.0
[M+CH3COO]- 284.197961 189.8
[M+Na-2H]- 246.158776 155.2
[M]+ 225.18356142 147.9
[M]- 225.18465858 147.9
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.