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 176.5
[M+Na]+ 373.16216 184.0
[M-H]- 349.16566 190.2
[M+NH4]+ 368.20676 193.0
[M+K]+ 389.13610 187.2
[M+H-H2O]+ 333.17020 175.7
[M+HCOO]- 395.17114 191.6
[M+CH3COO]- 409.18679 189.0
[M+Na-2H]- 371.14761 178.3
[M]+ 350.17239 183.0
[M]- 350.17349 183.0
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