CID 21399

Ethyl piperidine-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)N1CCCCC1

InChI

InChI=1S/C8H15NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2-7H2,1H3

InChIKey

YSPVHAUJXLGZHP-UHFFFAOYSA-N

Compound name

ethyl piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2602
Patents: 157.11028 Da
Monoisotopic Mass: 1.3
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]+	158.117556	135.2
[M+Na]+	180.099498	140.1
[M-H]-	156.103004	136.5
[M+NH4]+	175.144103	154.6
[M+K]+	196.073438	140.0
[M+H-H2O]+	140.107540	128.7
[M+HCOO]-	202.108481	154.1
[M+CH3COO]-	216.124131	174.7
[M+Na-2H]-	178.084946	139.7
[M]+	157.10973142	132.4
[M]-	157.11082858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe