CID 3066319

109984-82-9

Structural Information

Molecular Formula
C16H26O7
SMILES
CCCC(=O)O[C@H]1[C@H](OC2C1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI
InChI=1S/C16H26O7/c1-6-7-10(17)19-12-11(9-8-18-15(2,3)21-9)20-14-13(12)22-16(4,5)23-14/h9,11-14H,6-8H2,1-5H3/t9-,11-,12+,13?,14?/m1/s1
InChIKey
NJJNAEMZQBLYRV-KSDCKGNFSA-N
Compound name
[(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] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16785 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17513 169.5
[M+Na]+ 353.15707 176.1
[M+NH4]+ 348.20167 177.6
[M+K]+ 369.13101 177.2
[M-H]- 329.16057 175.4
[M+Na-2H]- 351.14252 169.0
[M]+ 330.16730 172.2
[M]- 330.16840 172.2
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.