CID 23290221

2-(diethylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCC(C(=O)O)N(CC)CC

InChI

InChI=1S/C8H17NO2/c1-4-7(8(10)11)9(5-2)6-3/h7H,4-6H2,1-3H3,(H,10,11)

InChIKey

WXZZJKVGEJBSJP-UHFFFAOYSA-N

Compound name

2-(diethylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 477
Patents: 159.12593 Da
Monoisotopic Mass: -0.8
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]+	160.133206	138.1
[M+Na]+	182.115148	143.2
[M-H]-	158.118654	138.2
[M+NH4]+	177.159753	158.6
[M+K]+	198.089088	144.1
[M+H-H2O]+	142.123190	132.9
[M+HCOO]-	204.124131	159.9
[M+CH3COO]-	218.139781	183.7
[M+Na-2H]-	180.100596	140.4
[M]+	159.12538142	139.5
[M]-	159.12647858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe