CID 3961434

Tert-butyl 4-[(4-methylpiperazin-1-yl)carbonyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H29N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)C
InChI
InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-7-5-13(6-8-19)14(20)18-11-9-17(4)10-12-18/h13H,5-12H2,1-4H3
InChIKey
NJCYAEJCGFMXPK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

311.2209 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.22818 178.7
[M+Na]+ 334.21012 180.7
[M-H]- 310.21362 179.4
[M+NH4]+ 329.25472 188.9
[M+K]+ 350.18406 179.2
[M+H-H2O]+ 294.21816 169.5
[M+HCOO]- 356.21910 187.2
[M+CH3COO]- 370.23475 204.8
[M+Na-2H]- 332.19557 177.1
[M]+ 311.22035 173.2
[M]- 311.22145 173.2
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