CID 85303757

3,4-dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide

Structural Information

Molecular Formula
C8H16N2O4
SMILES
C1C(C(C(N1CCC(=O)N)CO)O)O
InChI
InChI=1S/C8H16N2O4/c9-7(13)1-2-10-3-6(12)8(14)5(10)4-11/h5-6,8,11-12,14H,1-4H2,(H2,9,13)
InChIKey
ARJIGPTXXUGWDZ-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11101 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 145.2
[M+Na]+ 227.100228 151.0
[M-H]- 203.103734 142.9
[M+NH4]+ 222.144833 162.2
[M+K]+ 243.074168 148.9
[M+H-H2O]+ 187.108270 139.5
[M+HCOO]- 249.109211 162.3
[M+CH3COO]- 263.124861 180.7
[M+Na-2H]- 225.085676 144.3
[M]+ 204.11046142 141.1
[M]- 204.11155858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.