CID 124585642

Tert-butyl (2r,4r)-4-fluoropyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H16FNO2
SMILES
CC(C)(C)OC(=O)[C@H]1C[C@H](CN1)F
InChI
InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)7-4-6(10)5-11-7/h6-7,11H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
JMORIDAQGDQESW-RNFRBKRXSA-N
Compound name
tert-butyl (2R,4R)-4-fluoropyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12378 142.8
[M+Na]+ 212.10572 149.1
[M-H]- 188.10922 142.1
[M+NH4]+ 207.15032 162.4
[M+K]+ 228.07966 147.9
[M+H-H2O]+ 172.11376 136.8
[M+HCOO]- 234.11470 159.4
[M+CH3COO]- 248.13035 178.9
[M+Na-2H]- 210.09117 144.5
[M]+ 189.11595 139.2
[M]- 189.11705 139.2
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.