CID 71758683

Tert-butyl n-[2-(prop-2-yne-1-sulfonyl)ethyl]carbamate

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CC(C)(C)OC(=O)NCCS(=O)(=O)CC#C
InChI
InChI=1S/C10H17NO4S/c1-5-7-16(13,14)8-6-11-9(12)15-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
DAAGZSFEANVEJR-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-prop-2-ynylsulfonylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08783 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.095106 162.9
[M+Na]+ 270.077048 170.7
[M-H]- 246.080554 163.0
[M+NH4]+ 265.121653 178.5
[M+K]+ 286.050988 169.8
[M+H-H2O]+ 230.085090 151.8
[M+HCOO]- 292.086031 173.3
[M+CH3COO]- 306.101681 198.2
[M+Na-2H]- 268.062496 164.4
[M]+ 247.08728142 162.1
[M]- 247.08837858 162.1
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.