CID 11053542

119927-71-8

Structural Information

Molecular Formula

C₁₀H₁₉NO₃S

SMILES

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

InChI

InChI=1S/C10H19NO3S/c1-10(2,3)14-9(13)11-8(7-12)5-6-15-4/h7-8H,5-6H2,1-4H3,(H,11,13)

InChIKey

AAJVCQPQGWUYMD-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-methylsulfanyl-1-oxobutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 233.10857 Da
Monoisotopic Mass: 1.5
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]+	234.11585	156.7
[M+Na]+	256.09779	163.1
[M+NH4]+	251.14239	162.4
[M+K]+	272.07173	157.9
[M-H]-	232.10129	154.3
[M+Na-2H]-	254.08324	157.1
[M]+	233.10802	157.0
[M]-	233.10912	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe