CID 3051364

1:2,5:6-di-o-isopropylidene-3-o-(2-(morpholino)ethyl)-alpha-d-glufuranose

Structural Information

Molecular Formula
C18H31NO7
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN4CCOCC4)C
InChI
InChI=1S/C18H31NO7/c1-17(2)22-11-12(24-17)13-14(15-16(23-13)26-18(3,4)25-15)21-10-7-19-5-8-20-9-6-19/h12-16H,5-11H2,1-4H3/t12-,13-,14+,15?,16?/m1/s1
InChIKey
MBXORKOPKYGMEY-OXLPJUHDSA-N
Compound name
4-[2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21733 182.9
[M+Na]+ 396.19927 187.5
[M-H]- 372.20277 194.2
[M+NH4]+ 391.24387 195.2
[M+K]+ 412.17321 192.5
[M+H-H2O]+ 356.20731 181.9
[M+HCOO]- 418.20825 191.7
[M+CH3COO]- 432.22390 193.1
[M+Na-2H]- 394.18472 182.4
[M]+ 373.20950 187.2
[M]- 373.21060 187.2
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.