CID 69558704

233746-02-6

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-3-8-7-11-5-4-9(8)6-10(12)13-2/h3,8-9,11H,1,4-7H2,2H3/t8-,9-/m0/s1

InChIKey

WSOUWTXUGBRVSF-IUCAKERBSA-N

Compound name

methyl 2-[(3R,4S)-3-ethenylpiperidin-4-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 183.12593 Da
Monoisotopic Mass: 0.9
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]+	184.133206	143.0
[M+Na]+	206.115148	147.7
[M-H]-	182.118654	142.8
[M+NH4]+	201.159753	160.7
[M+K]+	222.089088	145.6
[M+H-H2O]+	166.123190	136.7
[M+HCOO]-	228.124131	159.9
[M+CH3COO]-	242.139781	179.0
[M+Na-2H]-	204.100596	145.2
[M]+	183.12538142	138.7
[M]-	183.12647858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe