CID 479317

(2r,3s,4s,5r)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

Structural Information

Molecular Formula
C7H15NO5
SMILES
C([C@@H]1[C@@H]([C@H]([C@H](N1)C(CO)O)O)O)O
InChI
InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6+,7+/m1/s1
InChIKey
ZJRUOSSQTZGFJV-FAFPGDHVSA-N
Compound name
(2R,3S,4S,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09502 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.102296 142.7
[M+Na]+ 216.084238 148.2
[M-H]- 192.087744 136.9
[M+NH4]+ 211.128843 158.6
[M+K]+ 232.058178 145.2
[M+H-H2O]+ 176.092280 137.9
[M+HCOO]- 238.093221 155.2
[M+CH3COO]- 252.108871 169.4
[M+Na-2H]- 214.069686 141.5
[M]+ 193.09447142 136.6
[M]- 193.09556858 136.6
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.