CID 212461

24269-85-0

Structural Information

Molecular Formula
C16H31N3O2
SMILES
CC(C)NCCN1CCN(CC1)C(=O)OC2CCCCC2
InChI
InChI=1S/C16H31N3O2/c1-14(2)17-8-9-18-10-12-19(13-11-18)16(20)21-15-6-4-3-5-7-15/h14-15,17H,3-13H2,1-2H3
InChIKey
PXBREPWAXFWUGV-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.24164 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.24892 176.3
[M+Na]+ 320.23086 175.5
[M-H]- 296.23436 177.4
[M+NH4]+ 315.27546 187.5
[M+K]+ 336.20480 173.7
[M+H-H2O]+ 280.23890 166.3
[M+HCOO]- 342.23984 188.2
[M+CH3COO]- 356.25549 205.3
[M+Na-2H]- 318.21631 174.6
[M]+ 297.24109 168.9
[M]- 297.24219 168.9
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.