CID 23062749

609805-55-2

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)N1CCC(CC1)CC(=O)O

InChI

InChI=1S/C10H19NO2/c1-8(2)11-5-3-9(4-6-11)7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)

InChIKey

AZDHNNPGNMJACJ-UHFFFAOYSA-N

Compound name

2-(1-propan-2-ylpiperidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 185.14159 Da
Monoisotopic Mass: -1.0
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]+	186.14887	144.1
[M+Na]+	208.13081	148.3
[M-H]-	184.13431	144.0
[M+NH4]+	203.17541	161.7
[M+K]+	224.10475	147.2
[M+H-H2O]+	168.13885	137.9
[M+HCOO]-	230.13979	159.8
[M+CH3COO]-	244.15544	181.5
[M+Na-2H]-	206.11626	145.1
[M]+	185.14104	140.0
[M]-	185.14214	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe