CID 45092055

134362-19-9

Structural Information

Molecular Formula

C₉H₁₉NO₂S

SMILES

CC(C)(C)OC(=O)NC(C)(C)CS

InChI

InChI=1S/C9H19NO2S/c1-8(2,3)12-7(11)10-9(4,5)6-13/h13H,6H2,1-5H3,(H,10,11)

InChIKey

XICWIXHBBILNLD-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methyl-1-sulfanylpropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.11365 Da
Monoisotopic Mass: 1.8
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]+	206.12093	148.5
[M+Na]+	228.10287	154.4
[M-H]-	204.10637	148.9
[M+NH4]+	223.14747	168.2
[M+K]+	244.07681	153.8
[M+H-H2O]+	188.11091	143.8
[M+HCOO]-	250.11185	163.5
[M+CH3COO]-	264.12750	187.4
[M+Na-2H]-	226.08832	151.4
[M]+	205.11310	152.4
[M]-	205.11420	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe