CID 10781634

158690-56-3

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

213
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 173.2
[M+Na]+ 338.10326 181.1
[M+NH4]+ 333.14786 177.9
[M+K]+ 354.07720 176.1
[M-H]- 314.10676 171.9
[M+Na-2H]- 336.08871 176.2
[M]+ 315.11349 174.1
[M]- 315.11459 174.1
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

patents stripe