CID 2799233

Ccg-52317

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

CC(=O)C(C)(C)OC(=O)NCC1=CC=CS1

InChI

InChI=1S/C11H15NO3S/c1-8(13)11(2,3)15-10(14)12-7-9-5-4-6-16-9/h4-6H,7H2,1-3H3,(H,12,14)

InChIKey

ACCPETBMTXYDDD-UHFFFAOYSA-N

Compound name

(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 241.07727 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]+	242.084546	156.7
[M+Na]+	264.066488	162.7
[M-H]-	240.069994	160.3
[M+NH4]+	259.111093	176.1
[M+K]+	280.040428	161.3
[M+H-H2O]+	224.074530	150.9
[M+HCOO]-	286.075471	174.4
[M+CH3COO]-	300.091121	190.9
[M+Na-2H]-	262.051936	157.4
[M]+	241.07672142	160.5
[M]-	241.07781858	160.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.