CID 137838556

(2s,4s)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H12FNO
SMILES
CO[C@H]1C[C@H](NC1)CF
InChI
InChI=1S/C6H12FNO/c1-9-6-2-5(3-7)8-4-6/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
FDSQVTOGYVLLKW-WDSKDSINSA-N
Compound name
(2S,4S)-2-(fluoromethyl)-4-methoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.09029 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.097566 126.7
[M+Na]+ 156.079508 133.7
[M-H]- 132.083014 125.9
[M+NH4]+ 151.124113 148.4
[M+K]+ 172.053448 132.4
[M+H-H2O]+ 116.087550 120.2
[M+HCOO]- 178.088491 146.4
[M+CH3COO]- 192.104141 168.9
[M+Na-2H]- 154.064956 130.3
[M]+ 133.08974142 122.5
[M]- 133.09083858 122.5
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.