CID 16244495

Oxetane-2-carboxylic acid

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C1COC1C(=O)O

InChI

InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)

InChIKey

ZKCXAZCRQJSFTQ-UHFFFAOYSA-N

Compound name

oxetane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 507
Patents: 102.03169 Da
Monoisotopic Mass: -0.2
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]+	103.03897	116.7
[M+Na]+	125.02091	122.3
[M+NH4]+	120.06551	120.5
[M+K]+	140.99485	121.1
[M-H]-	101.02441	115.0
[M+Na-2H]-	123.00636	118.2
[M]+	102.03114	115.5
[M]-	102.03224	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe