CID 165430161

156205-66-2

Structural Information

Molecular Formula
C14H25NO9
SMILES
CO[C@@]1([C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C2C(C([C@H]3N2CC[C@H]3O)O)O
InChI
InChI=1S/C14H25NO9/c1-23-14(13(22)11(21)8(18)6(4-16)24-14)12-10(20)9(19)7-5(17)2-3-15(7)12/h5-13,16-22H,2-4H2,1H3/t5-,6-,7+,8-,9?,10?,11-,12?,13+,14+/m1/s1
InChIKey
YVLGLOPAOKYXFA-HTFNIYFWSA-N
Compound name
(7R,8S)-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.15292 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16020 176.4
[M+Na]+ 374.14214 181.3
[M-H]- 350.14564 174.4
[M+NH4]+ 369.18674 189.0
[M+K]+ 390.11608 179.7
[M+H-H2O]+ 334.15018 173.8
[M+HCOO]- 396.15112 181.6
[M+CH3COO]- 410.16677 200.3
[M+Na-2H]- 372.12759 172.8
[M]+ 351.15237 173.0
[M]- 351.15347 173.0
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.