CID 211120

Brn 0014244

Structural Information

Molecular Formula
C14H24O6
SMILES
CCO[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C14H24O6/c1-6-15-10-9(8-7-16-13(2,3)18-8)17-12-11(10)19-14(4,5)20-12/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11?,12?/m1/s1
InChIKey
VZBDKHKADBOBDL-QZWZXBRZSA-N
Compound name
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1573 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16458 160.5
[M+Na]+ 311.14652 168.4
[M-H]- 287.15002 170.9
[M+NH4]+ 306.19112 179.7
[M+K]+ 327.12046 172.6
[M+H-H2O]+ 271.15456 161.4
[M+HCOO]- 333.15550 175.6
[M+CH3COO]- 347.17115 200.6
[M+Na-2H]- 309.13197 164.1
[M]+ 288.15675 167.5
[M]- 288.15785 167.5
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.