CID 12066286

2-pyrrolidinecarboxamide, 4-fluoro-, hydrochloride (1:1), (2s,4s)-

Structural Information

Molecular Formula
C5H9FN2O
SMILES
C1[C@@H](CN[C@@H]1C(=O)N)F
InChI
InChI=1S/C5H9FN2O/c6-3-1-4(5(7)9)8-2-3/h3-4,8H,1-2H2,(H2,7,9)/t3-,4-/m0/s1
InChIKey
UMTORPRXIWIVFS-IMJSIDKUSA-N
Compound name
(2S,4S)-4-fluoropyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

132.06989 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07717 125.5
[M+Na]+ 155.05911 132.0
[M-H]- 131.06261 124.4
[M+NH4]+ 150.10371 146.4
[M+K]+ 171.03305 130.4
[M+H-H2O]+ 115.06715 118.8
[M+HCOO]- 177.06809 145.0
[M+CH3COO]- 191.08374 170.0
[M+Na-2H]- 153.04456 127.7
[M]+ 132.06934 117.8
[M]- 132.07044 117.8
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