CID 543662

3-aminotetrahydrofuran-3-carboxylic acid

Structural Information

Molecular Formula

SMILES

C1COCC1(C(=O)O)N

InChI

InChI=1S/C5H9NO3/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)

InChIKey

ATUWXXVBEAYCSQ-UHFFFAOYSA-N

Compound name

3-aminooxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 131.05824 Da
Monoisotopic Mass: -3.6
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]+	132.06552	124.4
[M+Na]+	154.04746	130.8
[M-H]-	130.05096	126.7
[M+NH4]+	149.09206	147.1
[M+K]+	170.02140	131.5
[M+H-H2O]+	114.05550	120.3
[M+HCOO]-	176.05644	145.7
[M+CH3COO]-	190.07209	167.2
[M+Na-2H]-	152.03291	130.3
[M]+	131.05769	120.8
[M]-	131.05879	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe