CID 95206

2566-29-2

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)

InChIKey

KWOMLHIFHFWBSB-UHFFFAOYSA-N

Compound name

2-amino-2-ethylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1717
Patents: 131.09464 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]+	132.10192	128.8
[M+Na]+	154.08386	135.2
[M-H]-	130.08736	127.4
[M+NH4]+	149.12846	149.6
[M+K]+	170.05780	134.8
[M+H-H2O]+	114.09190	124.7
[M+HCOO]-	176.09284	149.6
[M+CH3COO]-	190.10849	172.8
[M+Na-2H]-	152.06931	133.8
[M]+	131.09409	127.3
[M]-	131.09519	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe