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]+ 205.11829 145.2
[M+Na]+ 227.10023 151.0
[M-H]- 203.10373 142.9
[M+NH4]+ 222.14483 162.2
[M+K]+ 243.07417 148.9
[M+H-H2O]+ 187.10827 139.5
[M+HCOO]- 249.10921 162.3
[M+CH3COO]- 263.12486 180.7
[M+Na-2H]- 225.08568 144.3
[M]+ 204.11046 141.1
[M]- 204.11156 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.