CID 165651045

Tert-butyl n-(5-methanesulfonylthiophen-2-yl)carbamate

Structural Information

Molecular Formula
C10H15NO4S2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(S1)S(=O)(=O)C
InChI
InChI=1S/C10H15NO4S2/c1-10(2,3)15-9(12)11-7-5-6-8(16-7)17(4,13)14/h5-6H,1-4H3,(H,11,12)
InChIKey
CILAGAHJQSOHPX-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-methylsulfonylthiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.04425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05153 163.3
[M+Na]+ 300.03347 170.9
[M-H]- 276.03697 167.0
[M+NH4]+ 295.07807 181.6
[M+K]+ 316.00741 168.0
[M+H-H2O]+ 260.04151 158.1
[M+HCOO]- 322.04245 175.4
[M+CH3COO]- 336.05810 194.0
[M+Na-2H]- 298.01892 164.6
[M]+ 277.04370 168.5
[M]- 277.04480 168.5
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.