CID 93506

Oxetin

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@@H](O1)C(=O)O)N

InChI

InChI=1S/C4H7NO3/c5-2-1-8-3(2)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3+/m0/s1

InChIKey

UTIYGJDWWLIDQY-STHAYSLISA-N

Compound name

(2R,3S)-3-aminooxetane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 76
Patents: 117.042595 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]+	118.049871	119.8
[M+Na]+	140.031813	125.1
[M-H]-	116.035319	122.4
[M+NH4]+	135.076418	133.1
[M+K]+	156.005753	129.4
[M+H-H2O]+	100.039855	109.4
[M+HCOO]-	162.040796	140.1
[M+CH3COO]-	176.056446	171.5
[M+Na-2H]-	138.017261	125.1
[M]+	117.04204642	126.1
[M]-	117.04314358	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe