CID 89692975

1447943-70-5

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

C1CCOC(C1)(CO)C(=O)O

InChI

InChI=1S/C7H12O4/c8-5-7(6(9)10)3-1-2-4-11-7/h8H,1-5H2,(H,9,10)

InChIKey

CJAZNMZJDMQBKU-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)oxane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 160.07356 Da
Monoisotopic Mass: -0.3
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]+	161.08084	133.2
[M+Na]+	183.06278	142.0
[M+NH4]+	178.10738	141.5
[M+K]+	199.03672	137.0
[M-H]-	159.06628	133.9
[M+Na-2H]-	181.04823	137.4
[M]+	160.07301	134.4
[M]-	160.07411	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe