CID 28309104

503469-83-8

Structural Information

Molecular Formula

C₁₀H₁₂O₄S

SMILES

CC(C)(C)OC(=O)C1=CC=C(S1)C(=O)O

InChI

InChI=1S/C10H12O4S/c1-10(2,3)14-9(13)7-5-4-6(15-7)8(11)12/h4-5H,1-3H3,(H,11,12)

InChIKey

HSAOVIQXLLDARB-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 228.04562 Da
Monoisotopic Mass: 2.6
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]+	229.05290	151.8
[M+Na]+	251.03484	159.8
[M+NH4]+	246.07944	158.1
[M+K]+	267.00878	156.9
[M-H]-	227.03834	150.2
[M+Na-2H]-	249.02029	153.7
[M]+	228.04507	152.6
[M]-	228.04617	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe