CID 13089460

62062-65-1

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1

InChIKey

QDQVXVRZVCTVHE-YFKPBYRVSA-N

Compound name

propan-2-yl (2S)-2-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2466
Patents: 131.09464 Da
Monoisotopic Mass: 0.4
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]+	132.10192	129.4
[M+Na]+	154.08386	135.5
[M-H]-	130.08736	129.4
[M+NH4]+	149.12846	150.9
[M+K]+	170.05780	136.6
[M+H-H2O]+	114.09190	124.6
[M+HCOO]-	176.09284	151.3
[M+CH3COO]-	190.10849	176.3
[M+Na-2H]-	152.06931	131.8
[M]+	131.09409	129.0
[M]-	131.09519	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe