CID 14043894

25393-20-8

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CC(=O)N1CCCCC1CC(=O)O

InChI

InChI=1S/C9H15NO3/c1-7(11)10-5-3-2-4-8(10)6-9(12)13/h8H,2-6H2,1H3,(H,12,13)

InChIKey

FMJUSBGJDLWLGD-UHFFFAOYSA-N

Compound name

2-(1-acetylpiperidin-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 185.1052 Da
Monoisotopic Mass: 0.1
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]+	186.112476	141.1
[M+Na]+	208.094418	146.0
[M-H]-	184.097924	141.2
[M+NH4]+	203.139023	158.6
[M+K]+	224.068358	145.1
[M+H-H2O]+	168.102460	135.0
[M+HCOO]-	230.103401	157.6
[M+CH3COO]-	244.119051	179.0
[M+Na-2H]-	206.079866	142.7
[M]+	185.10465142	137.3
[M]-	185.10574858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe