CID 22104579

919354-20-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CCNCC1)C(=O)O

InChI

InChI=1S/C7H13NO2/c1-7(6(9)10)2-4-8-5-3-7/h8H,2-5H2,1H3,(H,9,10)

InChIKey

YORPCQSBLZIBKP-UHFFFAOYSA-N

Compound name

4-methylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 457
Patents: 143.09464 Da
Monoisotopic Mass: -2.1
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	131.8
[M+Na]+	166.08386	137.0
[M-H]-	142.08736	130.7
[M+NH4]+	161.12846	152.1
[M+K]+	182.05780	135.6
[M+H-H2O]+	126.09190	126.9
[M+HCOO]-	188.09284	148.0
[M+CH3COO]-	202.10849	167.3
[M+Na-2H]-	164.06931	136.9
[M]+	143.09409	125.3
[M]-	143.09519	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe