CID 537959

83824-92-4

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: 49
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]+	148.096816	132.7
[M+Na]+	170.078758	138.2
[M-H]-	146.082264	131.1
[M+NH4]+	165.123363	152.6
[M+K]+	186.052698	138.8
[M+H-H2O]+	130.086800	127.8
[M+HCOO]-	192.087741	153.3
[M+CH3COO]-	206.103391	176.4
[M+Na-2H]-	168.064206	134.4
[M]+	147.08899142	131.8
[M]-	147.09008858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe