CID 97539656

2044705-39-5

Structural Information

Molecular Formula

C₁₀H₁₆O₅

SMILES

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O

InChI

InChI=1S/C10H16O5/c1-10(2,3)15-9(13)7-5-4-6(14-7)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1

InChIKey

BGJSOJNNUVVKLL-RQJHMYQMSA-N

Compound name

(2R,5S)-5-[(2-methylpropan-2-yl)oxycarbonyl]oxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.09978 Da
Monoisotopic Mass: 1.1
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]+	217.107056	146.5
[M+Na]+	239.088998	152.2
[M-H]-	215.092504	149.1
[M+NH4]+	234.133603	164.8
[M+K]+	255.062938	153.4
[M+H-H2O]+	199.097040	142.3
[M+HCOO]-	261.097981	164.0
[M+CH3COO]-	275.113631	183.0
[M+Na-2H]-	237.074446	148.8
[M]+	216.09923142	147.7
[M]-	216.10032858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.