CID 124163

Sm 1212

Structural Information

Molecular Formula
C17H31NO6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCCCN(C)C)C
InChI
InChI=1S/C17H31NO6/c1-16(2)20-10-11(22-16)12-13(19-9-7-8-18(5)6)14-15(21-12)24-17(3,4)23-14/h11-15H,7-10H2,1-6H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
PMSINIYTMCRNNW-UXXRCYHCSA-N
Compound name
3-[[(3aR,5R,6S,6aR)-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]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.21515 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22243 176.4
[M+Na]+ 368.20437 182.5
[M+NH4]+ 363.24897 184.9
[M+K]+ 384.17831 183.0
[M-H]- 344.20787 183.7
[M+Na-2H]- 366.18982 176.4
[M]+ 345.21460 179.4
[M]- 345.21570 179.4
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

No patent data available for this compound.