CID 4935536

401485-19-6

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,11,12)

InChIKey

PJYFEMRXRXRMSS-UHFFFAOYSA-N

Compound name

tert-butyl N-(thiophen-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 127
Patents: 213.08235 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]+	214.08963	149.8
[M+Na]+	236.07157	156.7
[M-H]-	212.07507	153.7
[M+NH4]+	231.11617	170.8
[M+K]+	252.04551	155.0
[M+H-H2O]+	196.07961	144.3
[M+HCOO]-	258.08055	168.6
[M+CH3COO]-	272.09620	185.3
[M+Na-2H]-	234.05702	151.9
[M]+	213.08180	153.1
[M]-	213.08290	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe