CID 10844681

175671-43-9

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)[C@@H]1C[C@@H](CCN1)O

InChI

InChI=1S/C7H13NO3/c1-11-7(10)6-4-5(9)2-3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1

InChIKey

XYDFSCGFCFYWNY-RITPCOANSA-N

Compound name

methyl (2S,4R)-4-hydroxypiperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 159.08954 Da
Monoisotopic Mass: -0.4
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]+	160.096816	134.4
[M+Na]+	182.078758	139.6
[M-H]-	158.082264	133.3
[M+NH4]+	177.123363	152.3
[M+K]+	198.052698	138.4
[M+H-H2O]+	142.086800	128.6
[M+HCOO]-	204.087741	150.8
[M+CH3COO]-	218.103391	170.4
[M+Na-2H]-	180.064206	137.7
[M]+	159.08899142	129.3
[M]-	159.09008858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe