CID 10536147

185899-47-2

Structural Information

Molecular Formula
C9H17NO4
SMILES
CO[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2)O)O)O
InChI
InChI=1S/C9H17NO4/c1-14-6-2-3-10-4-5(11)8(12)9(13)7(6)10/h5-9,11-13H,2-4H2,1H3/t5-,6-,7+,8+,9+/m0/s1
InChIKey
DZYXTNHARMEMSZ-OFPUPOEVSA-N
Compound name
(1S,6S,7R,8R,8aS)-1-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-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 144.4
[M+Na]+ 226.10497 151.1
[M-H]- 202.10847 143.3
[M+NH4]+ 221.14957 163.4
[M+K]+ 242.07891 148.8
[M+H-H2O]+ 186.11301 139.6
[M+HCOO]- 248.11395 158.6
[M+CH3COO]- 262.12960 178.5
[M+Na-2H]- 224.09042 145.4
[M]+ 203.11520 140.4
[M]- 203.11630 140.4
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.