CID 424914

Methyl isonipecotate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)C1CCNCC1

InChI

InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3

InChIKey

RZVWBASHHLFBJF-UHFFFAOYSA-N

Compound name

methyl piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4228
Patents: 143.09464 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]+	144.10192	131.3
[M+Na]+	166.08386	136.0
[M-H]-	142.08736	131.2
[M+NH4]+	161.12846	150.3
[M+K]+	182.05780	135.2
[M+H-H2O]+	126.09190	125.2
[M+HCOO]-	188.09284	149.0
[M+CH3COO]-	202.10849	169.7
[M+Na-2H]-	164.06931	135.8
[M]+	143.09409	126.2
[M]-	143.09519	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe