CID 4248617

1038992-98-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1CNCCC1C(=O)O

InChI

InChI=1S/C7H13NO2/c1-5-4-8-3-2-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)

InChIKey

WLGOHASCUQHBRC-UHFFFAOYSA-N

Compound name

3-methylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 174
Patents: 143.09464 Da
Monoisotopic Mass: -2.0
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	131.4
[M+Na]+	166.08386	136.7
[M-H]-	142.08736	130.3
[M+NH4]+	161.12846	150.0
[M+K]+	182.05780	134.9
[M+H-H2O]+	126.09190	125.9
[M+HCOO]-	188.09284	147.6
[M+CH3COO]-	202.10849	168.9
[M+Na-2H]-	164.06931	134.7
[M]+	143.09409	124.9
[M]-	143.09519	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe