CID 10964532

51673-83-7

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CCOC(C1)C(=O)O

InChI

InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)

InChIKey

MQAYFGXOFCEZRW-UHFFFAOYSA-N

Compound name

oxane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1535
Patents: 130.06299 Da
Monoisotopic Mass: 0.6
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]+	131.07027	125.2
[M+Na]+	153.05221	135.2
[M+NH4]+	148.09681	133.2
[M+K]+	169.02615	131.2
[M-H]-	129.05571	127.0
[M+Na-2H]-	151.03766	129.1
[M]+	130.06244	126.8
[M]-	130.06354	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe