CID 500091

3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1h-pyrrolizine-1,2,7-triol

Structural Information

Molecular Formula
C8H15NO4
SMILES
C1CN2C(C(C(C2C1O)O)O)CO
InChI
InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2
InChIKey
AIQMLBKBQCVDEY-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

306
Patents

189.10011 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 139.9
[M+Na]+ 212.08933 146.2
[M+NH4]+ 207.13393 146.1
[M+K]+ 228.06327 147.6
[M-H]- 188.09283 137.3
[M+Na-2H]- 210.07478 138.3
[M]+ 189.09956 139.4
[M]- 189.10066 139.4
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