CID 5488191

2812-31-9

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C[C@@H](C(=O)O)N(C)C

InChI

InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1

InChIKey

QCYOIFVBYZNUNW-BYPYZUCNSA-N

Compound name

(2S)-2-(dimethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 21026
Patents: 117.07898 Da
Monoisotopic Mass: -2.0
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]+	118.086256	123.9
[M+Na]+	140.068198	130.3
[M-H]-	116.071704	124.6
[M+NH4]+	135.112803	146.1
[M+K]+	156.042138	132.0
[M+H-H2O]+	100.076240	119.3
[M+HCOO]-	162.077181	146.7
[M+CH3COO]-	176.092831	174.6
[M+Na-2H]-	138.053646	127.9
[M]+	117.07843142	124.2
[M]-	117.07952858	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe