CID 84648090

Trans-4-methyltetrahydrofuran-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C[C@H]1COC[C@@H]1C(=O)O

InChI

InChI=1S/C6H10O3/c1-4-2-9-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m0/s1

InChIKey

HYFLJRAKYMMEEJ-WHFBIAKZSA-N

Compound name

(3R,4R)-4-methyloxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.06299 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]+	131.070266	124.8
[M+Na]+	153.052208	131.8
[M-H]-	129.055714	127.7
[M+NH4]+	148.096813	146.5
[M+K]+	169.026148	132.6
[M+H-H2O]+	113.060250	120.5
[M+HCOO]-	175.061191	145.5
[M+CH3COO]-	189.076841	167.5
[M+Na-2H]-	151.037656	129.0
[M]+	130.06244142	123.5
[M]-	130.06353858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.