CID 9859098

3ctt

Structural Information

Molecular Formula
C8H15NO5
SMILES
C1[C@@H]([C@H]([C@H]2N1[C@@H]([C@H]([C@@H]2O)O)CO)O)O
InChI
InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
InChIKey
AXTGOJVKRHFYBT-XAZAIFFQSA-N
Compound name
(1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

743
Patents

205.09502 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10230 144.0
[M+Na]+ 228.08424 151.6
[M-H]- 204.08774 141.1
[M+NH4]+ 223.12884 163.4
[M+K]+ 244.05818 148.6
[M+H-H2O]+ 188.09228 140.5
[M+HCOO]- 250.09322 157.7
[M+CH3COO]- 264.10887 174.7
[M+Na-2H]- 226.06969 142.9
[M]+ 205.09447 140.0
[M]- 205.09557 140.0
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

patents stripe