CID 509190

(2r,3r,4r)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C5H10FNO2
SMILES
C1[C@H]([C@@H]([C@H](N1)CO)O)F
InChI
InChI=1S/C5H10FNO2/c6-3-1-7-4(2-8)5(3)9/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKey
VWZLFARLEDEART-WDCZJNDASA-N
Compound name
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

135.06955 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07683 126.1
[M+Na]+ 158.05877 133.6
[M-H]- 134.06227 123.1
[M+NH4]+ 153.10337 146.5
[M+K]+ 174.03271 131.1
[M+H-H2O]+ 118.06681 120.5
[M+HCOO]- 180.06775 143.3
[M+CH3COO]- 194.08340 163.9
[M+Na-2H]- 156.04422 128.6
[M]+ 135.06900 119.7
[M]- 135.07010 119.7
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

patents stripe