CID 24757764

Tert-butyl n-[(3s,5s)-5-methylpiperidin-3-yl]carbamate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
C[C@H]1C[C@@H](CNC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKey
CNALVHVMBXLLIY-IUCAKERBSA-N
Compound name
tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3687
Patents

214.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 152.9
[M+Na]+ 237.157338 156.7
[M-H]- 213.160844 152.9
[M+NH4]+ 232.201943 169.4
[M+K]+ 253.131278 155.3
[M+H-H2O]+ 197.165380 146.7
[M+HCOO]- 259.166321 168.8
[M+CH3COO]- 273.181971 186.9
[M+Na-2H]- 235.142786 155.8
[M]+ 214.16757142 148.3
[M]- 214.16866858 148.3
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