CID 121552738

4-[(2s,4r)-4-fluoropyrrolidine-2-carbonyl]morpholine hydrochloride

Structural Information

Molecular Formula
C9H15FN2O2
SMILES
C1COCCN1C(=O)[C@@H]2C[C@H](CN2)F
InChI
InChI=1S/C9H15FN2O2/c10-7-5-8(11-6-7)9(13)12-1-3-14-4-2-12/h7-8,11H,1-6H2/t7-,8+/m1/s1
InChIKey
HPMUTOXSDYPWBA-SFYZADRCSA-N
Compound name
[(2S,4R)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11176 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11904 145.4
[M+Na]+ 225.10098 149.5
[M-H]- 201.10448 146.0
[M+NH4]+ 220.14558 160.8
[M+K]+ 241.07492 148.3
[M+H-H2O]+ 185.10902 136.7
[M+HCOO]- 247.10996 158.4
[M+CH3COO]- 261.12561 178.8
[M+Na-2H]- 223.08643 146.0
[M]+ 202.11121 136.7
[M]- 202.11231 136.7
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.