CID 121552332

Tert-butyl 4-[(cyclopropylmethyl)amino]-4-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)NCC2CC2
InChI
InChI=1S/C15H28N2O3/c1-14(2,3)20-13(19)17-8-6-15(11-18,7-9-17)16-10-12-4-5-12/h12,16,18H,4-11H2,1-3H3
InChIKey
NTQBEWXIIVZYIN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.21 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 170.5
[M+Na]+ 307.199218 175.2
[M-H]- 283.202724 174.2
[M+NH4]+ 302.243823 181.3
[M+K]+ 323.173158 173.0
[M+H-H2O]+ 267.207260 164.5
[M+HCOO]- 329.208201 185.5
[M+CH3COO]- 343.223851 201.7
[M+Na-2H]- 305.184666 173.3
[M]+ 284.20945142 170.8
[M]- 284.21054858 170.8
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.