CID 20470918

2923840-31-5

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(C1CCCO1)(C(=O)O)N

InChI

InChI=1S/C7H13NO3/c1-7(8,6(9)10)5-3-2-4-11-5/h5H,2-4,8H2,1H3,(H,9,10)

InChIKey

VZOWSQMNRSUXFA-UHFFFAOYSA-N

Compound name

2-amino-2-(oxolan-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 159.08954 Da
Monoisotopic Mass: -2.8
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]+	160.096816	133.7
[M+Na]+	182.078758	138.8
[M-H]-	158.082264	135.7
[M+NH4]+	177.123363	153.4
[M+K]+	198.052698	139.3
[M+H-H2O]+	142.086800	129.0
[M+HCOO]-	204.087741	152.9
[M+CH3COO]-	218.103391	174.1
[M+Na-2H]-	180.064206	138.2
[M]+	159.08899142	130.1
[M]-	159.09008858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe