CID 212467

24269-88-3

Structural Information

Molecular Formula
C17H33N3O2
SMILES
CC(C)(C)NCCN1CCN(CC1)C(=O)OC2CCCCC2
InChI
InChI=1S/C17H33N3O2/c1-17(2,3)18-9-10-19-11-13-20(14-12-19)16(21)22-15-7-5-4-6-8-15/h15,18H,4-14H2,1-3H3
InChIKey
AKZQJVCWIOKJEK-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-(tert-butylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.25726 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.26454 180.6
[M+Na]+ 334.24648 180.3
[M-H]- 310.24998 181.9
[M+NH4]+ 329.29108 191.7
[M+K]+ 350.22042 178.2
[M+H-H2O]+ 294.25452 171.2
[M+HCOO]- 356.25546 191.7
[M+CH3COO]- 370.27111 207.2
[M+Na-2H]- 332.23193 180.6
[M]+ 311.25671 173.7
[M]- 311.25781 173.7
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.