CID 212383

24269-45-2

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CCN(CC)CCN1CCN(CC1)C(=O)OCC
InChI
InChI=1S/C13H27N3O2/c1-4-14(5-2)7-8-15-9-11-16(12-10-15)13(17)18-6-3/h4-12H2,1-3H3
InChIKey
CSSARXMIYVCDPV-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(diethylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21033 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 165.3
[M+Na]+ 280.19955 168.3
[M-H]- 256.20305 166.0
[M+NH4]+ 275.24415 179.8
[M+K]+ 296.17349 168.1
[M+H-H2O]+ 240.20759 156.5
[M+HCOO]- 302.20853 182.8
[M+CH3COO]- 316.22418 202.0
[M+Na-2H]- 278.18500 166.2
[M]+ 257.20978 165.7
[M]- 257.21088 165.7
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.