CID 44844

63867-13-0

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCN(CC)CCCC(=O)O

InChI

InChI=1S/C8H17NO2/c1-3-9(4-2)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11)

InChIKey

XUDAWBWSOYRMRW-UHFFFAOYSA-N

Compound name

4-(diethylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 229
Patents: 159.12593 Da
Monoisotopic Mass: -1.4
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]+	160.133206	137.8
[M+Na]+	182.115148	143.1
[M-H]-	158.118654	137.8
[M+NH4]+	177.159753	158.3
[M+K]+	198.089088	143.6
[M+H-H2O]+	142.123190	132.5
[M+HCOO]-	204.124131	160.6
[M+CH3COO]-	218.139781	182.8
[M+Na-2H]-	180.100596	141.4
[M]+	159.12538142	139.9
[M]-	159.12647858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe