CID 45791119

3-(1-methylpiperidin-2-yl)propanoic acid

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CN1CCCCC1CCC(=O)O

InChI

InChI=1S/C9H17NO2/c1-10-7-3-2-4-8(10)5-6-9(11)12/h8H,2-7H2,1H3,(H,11,12)

InChIKey

ZYWHDXBOSGFUFC-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.12593 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]+	172.13321	139.6
[M+Na]+	194.11515	149.1
[M+NH4]+	189.15975	146.9
[M+K]+	210.08909	144.1
[M-H]-	170.11865	139.6
[M+Na-2H]-	192.10060	142.9
[M]+	171.12538	140.6
[M]-	171.12648	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe