CID 97907

18685-18-2

Structural Information

Molecular Formula
C19H26O6
SMILES
CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OCC4=CC=CC=C4)C
InChI
InChI=1S/C19H26O6/c1-18(2)21-11-13(23-18)14-15(20-10-12-8-6-5-7-9-12)16-17(22-14)25-19(3,4)24-16/h5-9,13-17H,10-11H2,1-4H3
InChIKey
ZHFVGOMEUGAIJX-UHFFFAOYSA-N
Compound name
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

350.17294 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18022 173.4
[M+Na]+ 373.16216 183.2
[M+NH4]+ 368.20676 183.2
[M+K]+ 389.13610 182.2
[M-H]- 349.16566 183.1
[M+Na-2H]- 371.14761 176.7
[M]+ 350.17239 177.9
[M]- 350.17349 177.9
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

patents stripe