CID 118998354

Tert-butyl n-[4-(piperazin-1-yl)cyclohexyl]carbamate dihydrochloride

Structural Information

Molecular Formula
C15H29N3O2
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)N2CCNCC2
InChI
InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-12-4-6-13(7-5-12)18-10-8-16-9-11-18/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKey
KMSUEKPAMUWBFM-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-piperazin-1-ylcyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

283.22598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23326 172.3
[M+Na]+ 306.21520 172.5
[M-H]- 282.21870 172.6
[M+NH4]+ 301.25980 183.8
[M+K]+ 322.18914 170.0
[M+H-H2O]+ 266.22324 163.6
[M+HCOO]- 328.22418 182.6
[M+CH3COO]- 342.23983 198.8
[M+Na-2H]- 304.20065 172.9
[M]+ 283.22543 162.9
[M]- 283.22653 162.9
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

patents stripe