CID 212401

24269-54-3

Structural Information

Molecular Formula
C15H29N3O2
SMILES
CCOC(=O)N1CCN(CC1)CCNC2CCCCC2
InChI
InChI=1S/C15H29N3O2/c1-2-20-15(19)18-12-10-17(11-13-18)9-8-16-14-6-4-3-5-7-14/h14,16H,2-13H2,1H3
InChIKey
FFFCQAWQTNTDST-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(cyclohexylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.22598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23326 171.8
[M+Na]+ 306.21520 171.7
[M-H]- 282.21870 173.0
[M+NH4]+ 301.25980 183.7
[M+K]+ 322.18914 169.5
[M+H-H2O]+ 266.22324 161.8
[M+HCOO]- 328.22418 185.0
[M+CH3COO]- 342.23983 201.4
[M+Na-2H]- 304.20065 171.8
[M]+ 283.22543 164.6
[M]- 283.22653 164.6
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.