CID 212397

24269-52-1

Structural Information

Molecular Formula
C17H35N3O2
SMILES
CCOC(=O)N1CCN(CC1)CCN(CC(C)C)CC(C)C
InChI
InChI=1S/C17H35N3O2/c1-6-22-17(21)20-11-9-18(10-12-20)7-8-19(13-15(2)3)14-16(4)5/h15-16H,6-14H2,1-5H3
InChIKey
APORSJAFJOQEQK-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[bis(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.27292 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.28020 183.0
[M+Na]+ 336.26214 183.9
[M-H]- 312.26564 183.2
[M+NH4]+ 331.30674 195.2
[M+K]+ 352.23608 183.7
[M+H-H2O]+ 296.27018 173.9
[M+HCOO]- 358.27112 197.2
[M+CH3COO]- 372.28677 215.7
[M+Na-2H]- 334.24759 179.6
[M]+ 313.27237 183.7
[M]- 313.27347 183.7
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.