CID 58055085

617690-22-9

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-4-2-3-9-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m1/s1

InChIKey

IUCKHYBYONQBJH-UHNVWZDZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	124.8
[M+Na]+	153.05221	131.8
[M-H]-	129.05571	127.7
[M+NH4]+	148.09681	146.5
[M+K]+	169.02615	132.6
[M+H-H2O]+	113.06025	120.5
[M+HCOO]-	175.06119	145.5
[M+CH3COO]-	189.07684	167.5
[M+Na-2H]-	151.03766	129.0
[M]+	130.06244	123.5
[M]-	130.06354	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe