CID 11845731

35802-12-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC[C@H]1CNCC[C@H]1CC(=O)OC

InChI

InChI=1S/C10H19NO2/c1-3-8-7-11-5-4-9(8)6-10(12)13-2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1

InChIKey

FBZACEFBSHRTRS-IUCAKERBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 185.14159 Da
Monoisotopic Mass: 1.2
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]+	186.14887	144.4
[M+Na]+	208.13081	148.9
[M-H]-	184.13431	144.2
[M+NH4]+	203.17541	162.1
[M+K]+	224.10475	147.3
[M+H-H2O]+	168.13885	138.0
[M+HCOO]-	230.13979	161.1
[M+CH3COO]-	244.15544	179.9
[M+Na-2H]-	206.11626	146.6
[M]+	185.14104	140.9
[M]-	185.14214	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe