CID 13250769

2-[(propan-2-yl)amino]propanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)NC(C)C(=O)O

InChI

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

InChIKey

LABFFVKLPSJCAN-UHFFFAOYSA-N

Compound name

2-(propan-2-ylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 401
Patents: 131.09464 Da
Monoisotopic Mass: -1.7
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	129.5
[M+Na]+	154.08386	135.0
[M-H]-	130.08736	128.5
[M+NH4]+	149.12846	150.4
[M+K]+	170.05780	135.5
[M+H-H2O]+	114.09190	124.9
[M+HCOO]-	176.09284	150.5
[M+CH3COO]-	190.10849	175.0
[M+Na-2H]-	152.06931	132.3
[M]+	131.09409	128.2
[M]-	131.09519	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe