CID 10781634

Tert-butyl n-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}carbamate

Structural Information

Molecular Formula
C14H21NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H21NO5S/c1-11-5-7-12(8-6-11)21(17,18)19-10-9-15-13(16)20-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKey
OWNIGLWHXOENAA-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

315.11404 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12132 171.8
[M+Na]+ 338.10326 177.8
[M-H]- 314.10676 175.2
[M+NH4]+ 333.14786 186.6
[M+K]+ 354.07720 175.9
[M+H-H2O]+ 298.11130 165.2
[M+HCOO]- 360.11224 187.9
[M+CH3COO]- 374.12789 203.6
[M+Na-2H]- 336.08871 175.3
[M]+ 315.11349 178.4
[M]- 315.11459 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe