CID 10488362

171925-44-3

Structural Information

Molecular Formula
C9H17NO4
SMILES
CO[C@@H]1[C@H]2[C@H](CCN2C[C@@H]([C@H]1O)O)O
InChI
InChI=1S/C9H17NO4/c1-14-9-7-5(11)2-3-10(7)4-6(12)8(9)13/h5-9,11-13H,2-4H2,1H3/t5-,6-,7+,8+,9+/m0/s1
InChIKey
XJCVSLVVHTZUMX-OFPUPOEVSA-N
Compound name
(1S,6S,7R,8R,8aR)-8-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 143.7
[M+Na]+ 226.10497 151.5
[M+NH4]+ 221.14957 150.4
[M+K]+ 242.07891 150.1
[M-H]- 202.10847 142.3
[M+Na-2H]- 224.09042 143.4
[M]+ 203.11520 143.8
[M]- 203.11630 143.8
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.