CID 21088791

595597-00-5

Structural Information

Molecular Formula

C₁₀H₁₉NO₂S

SMILES

CC(C)(C)OC(=O)NC1CCSCC1

InChI

InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-8-4-6-14-7-5-8/h8H,4-7H2,1-3H3,(H,11,12)

InChIKey

IRZQBMIZGJSXFN-UHFFFAOYSA-N

Compound name

tert-butyl N-(thian-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 217.11365 Da
Monoisotopic Mass: 2.1
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]+	218.12093	150.3
[M+Na]+	240.10287	157.8
[M+NH4]+	235.14747	158.2
[M+K]+	256.07681	151.5
[M-H]-	216.10637	151.3
[M+Na-2H]-	238.08832	153.5
[M]+	217.11310	151.8
[M]-	217.11420	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe