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]+ 285.21728 170.5
[M+Na]+ 307.19922 175.2
[M-H]- 283.20272 174.2
[M+NH4]+ 302.24382 181.3
[M+K]+ 323.17316 173.0
[M+H-H2O]+ 267.20726 164.5
[M+HCOO]- 329.20820 185.5
[M+CH3COO]- 343.22385 201.7
[M+Na-2H]- 305.18467 173.3
[M]+ 284.20945 170.8
[M]- 284.21055 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.