CID 11723227

102089-75-8

Structural Information

Molecular Formula
C14H21NO5S
SMILES
CC(C)(C)OC(=O)N[C@@H](COS(=O)(=O)C)C1=CC=CC=C1
InChI
InChI=1S/C14H21NO5S/c1-14(2,3)20-13(16)15-12(10-19-21(4,17)18)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKey
QMCZMSKKAHWYBJ-LBPRGKRZSA-N
Compound name
[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

315.11404 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12132 172.3
[M+Na]+ 338.10326 179.5
[M+NH4]+ 333.14786 176.9
[M+K]+ 354.07720 175.2
[M-H]- 314.10676 170.7
[M+Na-2H]- 336.08871 175.3
[M]+ 315.11349 173.0
[M]- 315.11459 173.0
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