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]+ 300.26454 178.0
[M+Na]+ 322.24648 179.1
[M-H]- 298.24998 178.5
[M+NH4]+ 317.29108 190.6
[M+K]+ 338.22042 179.7
[M+H-H2O]+ 282.25452 169.4
[M+HCOO]- 344.25546 191.5
[M+CH3COO]- 358.27111 213.7
[M+Na-2H]- 320.23193 173.9
[M]+ 299.25671 177.7
[M]- 299.25781 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.