CID 212411

24269-59-8

Structural Information

Molecular Formula
C16H33N3O2
SMILES
CC(C)N(CCN1CCN(CC1)C(=O)OC(C)C)C(C)C
InChI
InChI=1S/C16H33N3O2/c1-13(2)19(14(3)4)12-9-17-7-10-18(11-8-17)16(20)21-15(5)6/h13-15H,7-12H2,1-6H3
InChIKey
WUYVIDQPDHHCBA-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.25726 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.264536 178.0
[M+Na]+ 322.246478 179.1
[M-H]- 298.249984 178.5
[M+NH4]+ 317.291083 190.6
[M+K]+ 338.220418 179.7
[M+H-H2O]+ 282.254520 169.4
[M+HCOO]- 344.255461 191.5
[M+CH3COO]- 358.271111 213.7
[M+Na-2H]- 320.231926 173.9
[M]+ 299.25671142 177.7
[M]- 299.25780858 177.7
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.