CID 17750442

936250-36-1

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₃

SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)O)Br

InChI

InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1

InChIKey

KIWHIAGYBKVHMO-YUMQZZPRSA-N

Compound name

tert-butyl (3S,4S)-4-bromo-3-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.047 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.054276	157.2
[M+Na]+	302.036218	166.2
[M-H]-	278.039724	160.3
[M+NH4]+	297.080823	175.3
[M+K]+	318.010158	156.2
[M+H-H2O]+	262.044260	157.3
[M+HCOO]-	324.045201	170.4
[M+CH3COO]-	338.060851	192.1
[M+Na-2H]-	300.021666	160.7
[M]+	279.04645142	173.5
[M]-	279.04754858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.