CID 537959

Schembl23111921

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

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

InChI

InChI=1S/C6H13NO3/c1-4(2)10-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

InChIKey

RWPNRIDPFQODSJ-UHFFFAOYSA-N

Compound name

2-amino-3-propan-2-yloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 147.08954 Da
Monoisotopic Mass: -2.7
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]+	148.09682	131.8
[M+Na]+	170.07876	138.8
[M+NH4]+	165.12336	137.8
[M+K]+	186.05270	136.8
[M-H]-	146.08226	129.5
[M+Na-2H]-	168.06421	132.9
[M]+	147.08899	131.6
[M]-	147.09009	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe