CID 178200083

Tert-butyl n-(1-methanesulfonylbut-3-yn-2-yl)carbamate

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CC(C)(C)OC(=O)NC(CS(=O)(=O)C)C#C
InChI
InChI=1S/C10H17NO4S/c1-6-8(7-16(5,13)14)11-9(12)15-10(2,3)4/h1,8H,7H2,2-5H3,(H,11,12)
InChIKey
QDEFIQDTNWADAJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-methylsulfonylbut-3-yn-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08783 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09511 163.1
[M+Na]+ 270.07705 170.6
[M-H]- 246.08055 163.2
[M+NH4]+ 265.12165 178.6
[M+K]+ 286.05099 170.2
[M+H-H2O]+ 230.08509 152.1
[M+HCOO]- 292.08603 172.6
[M+CH3COO]- 306.10168 198.9
[M+Na-2H]- 268.06250 163.6
[M]+ 247.08728 161.7
[M]- 247.08838 161.7
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.