CID 64664091

2-(3-aminooxolan-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COCC1(CC(=O)O)N

InChI

InChI=1S/C6H11NO3/c7-6(3-5(8)9)1-2-10-4-6/h1-4,7H2,(H,8,9)

InChIKey

OJYRALLYAPWPTP-UHFFFAOYSA-N

Compound name

2-(3-aminooxolan-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 145.0739 Da
Monoisotopic Mass: -3.1
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]+	146.081176	129.0
[M+Na]+	168.063118	135.0
[M-H]-	144.066624	131.1
[M+NH4]+	163.107723	151.1
[M+K]+	184.037058	135.4
[M+H-H2O]+	128.071160	124.7
[M+HCOO]-	190.072101	150.0
[M+CH3COO]-	204.087751	170.3
[M+Na-2H]-	166.048566	134.3
[M]+	145.07335142	125.8
[M]-	145.07444858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe