CID 56973583

Tert-butyl 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H18FNO3
SMILES
CC(C)(C)OC(=O)N1CC(CC1CO)F
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13/h7-8,13H,4-6H2,1-3H3
InChIKey
ROEMZCLHRRRKGF-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

219.12708 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13436 151.4
[M+Na]+ 242.11630 158.2
[M+NH4]+ 237.16090 156.6
[M+K]+ 258.09024 157.0
[M-H]- 218.11980 147.8
[M+Na-2H]- 240.10175 151.8
[M]+ 219.12653 150.8
[M]- 219.12763 150.8
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