CID 21935982

3-(dimethylamino)butanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-5(7(2)3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)

InChIKey

SURVRMRLLSFWHA-UHFFFAOYSA-N

Compound name

3-(dimethylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 253
Patents: 131.09464 Da
Monoisotopic Mass: -2.1
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]+	132.10192	128.5
[M+Na]+	154.08386	136.8
[M+NH4]+	149.12846	135.6
[M+K]+	170.05780	133.7
[M-H]-	130.08736	127.4
[M+Na-2H]-	152.06931	131.1
[M]+	131.09409	128.9
[M]-	131.09519	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe