CID 11492408

Tert-butyl n-[3-(thiophen-2-yl)prop-2-yn-1-yl]carbamate

Structural Information

Molecular Formula
C12H15NO2S
SMILES
CC(C)(C)OC(=O)NCC#CC1=CC=CS1
InChI
InChI=1S/C12H15NO2S/c1-12(2,3)15-11(14)13-8-4-6-10-7-5-9-16-10/h5,7,9H,8H2,1-3H3,(H,13,14)
InChIKey
FOMUGWYNEQYPNH-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-thiophen-2-ylprop-2-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08963 151.7
[M+Na]+ 260.07157 159.9
[M+NH4]+ 255.11617 155.5
[M+K]+ 276.04551 152.0
[M-H]- 236.07507 144.2
[M+Na-2H]- 258.05702 152.6
[M]+ 237.08180 150.1
[M]- 237.08290 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.