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

284
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 150.2
[M+Na]+ 260.10687 158.0
[M-H]- 236.11037 148.7
[M+NH4]+ 255.15147 170.2
[M+K]+ 276.08081 156.9
[M+H-H2O]+ 220.11491 144.5
[M+HCOO]- 282.11585 165.7
[M+CH3COO]- 296.13150 186.9
[M+Na-2H]- 258.09232 152.0
[M]+ 237.11710 148.0
[M]- 237.11820 148.0
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