CID 43586193

2305252-51-9

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CN(C)C1CCN(CC1)CC(=O)O

InChI

InChI=1S/C9H18N2O2/c1-10(2)8-3-5-11(6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)

InChIKey

CFNRPCZEHZEFLA-UHFFFAOYSA-N

Compound name

2-[4-(dimethylamino)piperidin-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.13683 Da
Monoisotopic Mass: -1.8
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]+	187.14411	143.0
[M+Na]+	209.12605	147.0
[M-H]-	185.12955	144.3
[M+NH4]+	204.17065	160.8
[M+K]+	225.09999	147.1
[M+H-H2O]+	169.13409	136.2
[M+HCOO]-	231.13503	161.5
[M+CH3COO]-	245.15068	186.0
[M+Na-2H]-	207.11150	145.3
[M]+	186.13628	139.6
[M]-	186.13738	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe