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

3
Patents

117.095375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.10265 124.1
[M+Na]+ 140.08459 130.2
[M-H]- 116.08810 122.9
[M+NH4]+ 135.12920 146.1
[M+K]+ 156.05853 128.5
[M+H-H2O]+ 100.09264 117.4
[M+HCOO]- 162.09358 143.5
[M+CH3COO]- 176.10923 165.9
[M+Na-2H]- 138.07004 128.4
[M]+ 117.09483 118.1
[M]- 117.09592 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