CID 18453418

Rac-tert-butyl n-[(1r,3s)-3-[(methanesulfonyloxy)methyl]cyclopentyl]carbamate

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 168.1
[M+Na]+ 316.11892 172.9
[M-H]- 292.12242 171.1
[M+NH4]+ 311.16352 185.5
[M+K]+ 332.09286 172.2
[M+H-H2O]+ 276.12696 163.0
[M+HCOO]- 338.12790 182.7
[M+CH3COO]- 352.14355 198.3
[M+Na-2H]- 314.10437 169.0
[M]+ 293.12915 172.0
[M]- 293.13025 172.0
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