CID 212403

24269-55-4

Structural Information

Molecular Formula
C15H31N3O2
SMILES
CCCCCCNCCN1CCN(CC1)C(=O)OCC
InChI
InChI=1S/C15H31N3O2/c1-3-5-6-7-8-16-9-10-17-11-13-18(14-12-17)15(19)20-4-2/h16H,3-14H2,1-2H3
InChIKey
INAQUMYEROVYMI-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(hexylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.24164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.24892 174.3
[M+Na]+ 308.23086 176.1
[M-H]- 284.23436 173.0
[M+NH4]+ 303.27546 186.9
[M+K]+ 324.20480 174.1
[M+H-H2O]+ 268.23890 165.2
[M+HCOO]- 330.23984 190.5
[M+CH3COO]- 344.25549 204.6
[M+Na-2H]- 306.21631 174.8
[M]+ 285.24109 174.1
[M]- 285.24219 174.1
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.