CID 86775212

Tert-butyl 2-{[1-(ethanesulfonyl)piperidin-4-yl]amino}acetate

Structural Information

Molecular Formula
C13H26N2O4S
SMILES
CCS(=O)(=O)N1CCC(CC1)NCC(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)14-10-12(16)19-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKey
NDKUZFNQRXBRHA-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.16132 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16860 171.4
[M+Na]+ 329.15054 174.9
[M-H]- 305.15404 172.3
[M+NH4]+ 324.19514 185.0
[M+K]+ 345.12448 173.3
[M+H-H2O]+ 289.15858 164.9
[M+HCOO]- 351.15952 182.1
[M+CH3COO]- 365.17517 203.0
[M+Na-2H]- 327.13599 172.8
[M]+ 306.16077 172.7
[M]- 306.16187 172.7
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.