CID 509191

(1r)-1-[(2r,3s,4s)-4-fluoro-3-hydroxy-pyrrolidin-2-yl]ethane-1,2-diol

Structural Information

Molecular Formula
C6H12FNO3
SMILES
C1[C@@H]([C@H]([C@H](N1)[C@H](CO)O)O)F
InChI
InChI=1S/C6H12FNO3/c7-3-1-8-5(6(3)11)4(10)2-9/h3-6,8-11H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKey
BMXQZCXMHVVLLT-UNTFVMJOSA-N
Compound name
(1R)-1-[(2R,3S,4S)-4-fluoro-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.08012 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08740 134.4
[M+Na]+ 188.06934 140.6
[M-H]- 164.07284 129.8
[M+NH4]+ 183.11394 152.7
[M+K]+ 204.04328 138.0
[M+H-H2O]+ 148.07738 128.6
[M+HCOO]- 210.07832 148.9
[M+CH3COO]- 224.09397 167.6
[M+Na-2H]- 186.05479 134.6
[M]+ 165.07957 127.2
[M]- 165.08067 127.2
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.