CID 3044168

Brn 1653602

Structural Information

Molecular Formula
C18H31NO6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN4CCCC4)C
InChI
InChI=1S/C18H31NO6/c1-17(2)21-11-12(23-17)13-14(20-10-9-19-7-5-6-8-19)15-16(22-13)25-18(3,4)24-15/h12-16H,5-11H2,1-4H3/t12-,13-,14+,15?,16?/m1/s1
InChIKey
UHKIGNNVWVTMLV-OXLPJUHDSA-N
Compound name
1-[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]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.21515 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22243 178.7
[M+Na]+ 380.20437 183.9
[M-H]- 356.20787 190.1
[M+NH4]+ 375.24897 194.9
[M+K]+ 396.17831 187.6
[M+H-H2O]+ 340.21241 179.2
[M+HCOO]- 402.21335 190.6
[M+CH3COO]- 416.22900 189.8
[M+Na-2H]- 378.18982 176.5
[M]+ 357.21460 183.2
[M]- 357.21570 183.2
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.