CID 212469

24269-89-4

Structural Information

Molecular Formula
C18H35N3O2
SMILES
CCCCCNCCN1CCN(CC1)C(=O)OC2CCCCC2
InChI
InChI=1S/C18H35N3O2/c1-2-3-7-10-19-11-12-20-13-15-21(16-14-20)18(22)23-17-8-5-4-6-9-17/h17,19H,2-16H2,1H3
InChIKey
GOVMCDGGGHCQBV-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.27292 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.28020 184.5
[M+Na]+ 348.26214 183.1
[M-H]- 324.26564 185.1
[M+NH4]+ 343.30674 194.7
[M+K]+ 364.23608 180.3
[M+H-H2O]+ 308.27018 174.0
[M+HCOO]- 370.27112 196.8
[M+CH3COO]- 384.28677 210.4
[M+Na-2H]- 346.24759 183.0
[M]+ 325.27237 178.4
[M]- 325.27347 178.4
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.