CID 20648576

215918-21-1

Structural Information

Molecular Formula
C10H17F2NO3
SMILES
CC(C)(C)OC(=O)N1CC(C[C@H]1CO)(F)F
InChI
InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-6-10(11,12)4-7(13)5-14/h7,14H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
KQLZXWXCBWPDAD-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

237.11765 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12493 155.5
[M+Na]+ 260.10687 161.3
[M+NH4]+ 255.15147 161.1
[M+K]+ 276.08081 158.4
[M-H]- 236.11037 150.4
[M+Na-2H]- 258.09232 156.6
[M]+ 237.11710 154.4
[M]- 237.11820 154.4
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