CID 18453418

862700-29-6

Structural Information

Molecular Formula
C12H23NO5S
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)COS(=O)(=O)C
InChI
InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-10-6-5-9(7-10)8-17-19(4,15)16/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1
InChIKey
LUECKCZWUUIABD-VHSXEESVSA-N
Compound name
[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

293.1297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13698 168.6
[M+Na]+ 316.11892 173.1
[M+NH4]+ 311.16352 173.3
[M+K]+ 332.09286 171.2
[M-H]- 292.12242 166.0
[M+Na-2H]- 314.10437 168.6
[M]+ 293.12915 168.5
[M]- 293.13025 168.5
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