CID 37522

O-tert-butyl s-(2-furanylmethyl) carbonothioate

Structural Information

Molecular Formula

C₁₀H₁₄O₃S

SMILES

CC(C)(C)OC(=O)SCC1=CC=CO1

InChI

InChI=1S/C10H14O3S/c1-10(2,3)13-9(11)14-7-8-5-4-6-12-8/h4-6H,7H2,1-3H3

InChIKey

VHYJTAVLIUIBRT-UHFFFAOYSA-N

Compound name

tert-butyl furan-2-ylmethylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 214.06636 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]+	215.07364	148.5
[M+Na]+	237.05558	156.3
[M-H]-	213.05908	153.2
[M+NH4]+	232.10018	168.6
[M+K]+	253.02952	156.3
[M+H-H2O]+	197.06362	143.7
[M+HCOO]-	259.06456	165.9
[M+CH3COO]-	273.08021	182.5
[M+Na-2H]-	235.04103	151.2
[M]+	214.06581	154.6
[M]-	214.06691	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe