CID 167715942

Rac-tert-butyl n-{[(3r,4r)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}carbamate hydrochloride

Structural Information

Molecular Formula
C11H21FN2O3
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CNC[C@@]1(CO)F
InChI
InChI=1S/C11H21FN2O3/c1-10(2,3)17-9(16)14-5-8-4-13-6-11(8,12)7-15/h8,13,15H,4-7H2,1-3H3,(H,14,16)/t8-,11-/m0/s1
InChIKey
RSWBDRZPFXYISI-KWQFWETISA-N
Compound name
tert-butyl N-[[(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15363 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16091 157.0
[M+Na]+ 271.14285 161.5
[M+NH4]+ 266.18745 162.5
[M+K]+ 287.11679 159.1
[M-H]- 247.14635 153.0
[M+Na-2H]- 269.12830 158.3
[M]+ 248.15308 155.9
[M]- 248.15418 155.9
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.