CID 53409225

3-(2-fluoroethyl)pyrrolidine

Structural Information

Molecular Formula
C6H12FN
SMILES
C1CNCC1CCF
InChI
InChI=1S/C6H12FN/c7-3-1-6-2-4-8-5-6/h6,8H,1-5H2
InChIKey
UQIDGDMXALVLSR-UHFFFAOYSA-N
Compound name
3-(2-fluoroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.095375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 124.1
[M+Na]+ 140.084593 130.2
[M-H]- 116.088099 122.9
[M+NH4]+ 135.129198 146.1
[M+K]+ 156.058533 128.5
[M+H-H2O]+ 100.092635 117.4
[M+HCOO]- 162.093576 143.5
[M+CH3COO]- 176.109226 165.9
[M+Na-2H]- 138.070041 128.4
[M]+ 117.09482642 118.1
[M]- 117.09592358 118.1
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