CID 21470250

135813-39-7

Structural Information

Molecular Formula

C₇H₁₀O₃S

SMILES

CCC1=C(SCCO1)C(=O)O

InChI

InChI=1S/C7H10O3S/c1-2-5-6(7(8)9)11-4-3-10-5/h2-4H2,1H3,(H,8,9)

InChIKey

GZSSVTISFWIFHB-UHFFFAOYSA-N

Compound name

6-ethyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 174.03506 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]+	175.04234	134.5
[M+Na]+	197.02428	144.9
[M+NH4]+	192.06888	142.7
[M+K]+	212.99822	138.8
[M-H]-	173.02778	136.7
[M+Na-2H]-	195.00973	138.0
[M]+	174.03451	136.9
[M]-	174.03561	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe