CID 71741549

1-boc-3-fluoro-3-(hydroxymethyl)pyrrolidine

Structural Information

Molecular Formula
C10H18FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CO)F
InChI
InChI=1S/C10H18FNO3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7H2,1-3H3
InChIKey
HMMKNNFZSSJGNC-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

219.12708 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13436 148.9
[M+Na]+ 242.11630 155.7
[M-H]- 218.11980 148.3
[M+NH4]+ 237.16090 169.3
[M+K]+ 258.09024 154.9
[M+H-H2O]+ 202.12434 143.7
[M+HCOO]- 264.12528 165.4
[M+CH3COO]- 278.14093 182.9
[M+Na-2H]- 240.10175 151.7
[M]+ 219.12653 147.4
[M]- 219.12763 147.4
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