CID 71755375

Tert-butyl n-(4,5-dimethylthiophen-2-yl)carbamate

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CC1=C(SC(=C1)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H17NO2S/c1-7-6-9(15-8(7)2)12-10(13)14-11(3,4)5/h6H,1-5H3,(H,12,13)
InChIKey
RNHCFGQZCBOMQI-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.098 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10528 152.7
[M+Na]+ 250.08722 160.8
[M-H]- 226.09072 157.1
[M+NH4]+ 245.13182 173.7
[M+K]+ 266.06116 159.0
[M+H-H2O]+ 210.09526 147.6
[M+HCOO]- 272.09620 171.1
[M+CH3COO]- 286.11185 190.6
[M+Na-2H]- 248.07267 153.2
[M]+ 227.09745 157.2
[M]- 227.09855 157.2
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.