CID 439368

D-(-)-pantolactone

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(COC(=O)[C@@H]1O)C

InChI

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

InChIKey

SERHXTVXHNVDKA-BYPYZUCNSA-N

Compound name

(3R)-3-hydroxy-4,4-dimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 72
References: 9317
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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	121.6
[M+Na]+	153.052208	130.7
[M-H]-	129.055714	125.1
[M+NH4]+	148.096813	145.8
[M+K]+	169.026148	131.2
[M+H-H2O]+	113.060250	118.7
[M+HCOO]-	175.061191	143.4
[M+CH3COO]-	189.076841	167.4
[M+Na-2H]-	151.037656	127.9
[M]+	130.06244142	121.7
[M]-	130.06353858	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe