CID 165881416

Rac-tert-butyln-[(1r,3s,4s)-3-fluoro-4-hydroxycyclopentyl]carbamate

Structural Information

Molecular Formula
C10H18FNO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@H](C1)F)O
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-6-4-7(11)8(13)5-6/h6-8,13H,4-5H2,1-3H3,(H,12,14)/t6-,7-,8-/m0/s1
InChIKey
LKAZYGYTYQOLLE-FXQIFTODSA-N
Compound name
tert-butyl N-[(1R,3S,4S)-3-fluoro-4-hydroxycyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12708 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13436 149.1
[M+Na]+ 242.11630 154.9
[M-H]- 218.11980 149.9
[M+NH4]+ 237.16090 168.7
[M+K]+ 258.09024 153.9
[M+H-H2O]+ 202.12434 143.6
[M+HCOO]- 264.12528 167.8
[M+CH3COO]- 278.14093 186.9
[M+Na-2H]- 240.10175 150.3
[M]+ 219.12653 146.3
[M]- 219.12763 146.3
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

No patent data available for this compound.