CID 5275369

(6r)-6-benzyloxy-5-dodecyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Structural Information

Molecular Formula
C26H42O4
SMILES
CCCCCCCCCCCCC1[C@H](C2C(O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI
InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-16-19-22-23(27-20-21-17-14-13-15-18-21)24-25(28-22)30-26(2,3)29-24/h13-15,17-18,22-25H,4-12,16,19-20H2,1-3H3/t22?,23-,24?,25?/m1/s1
InChIKey
KAWQWJIBJHTXEW-WWFYNWEGSA-N
Compound name
(6R)-5-dodecyl-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

1
References

0
Patents

418.30832 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 209.8
[M+Na]+ 441.29754 213.0
[M-H]- 417.30104 217.1
[M+NH4]+ 436.34214 222.7
[M+K]+ 457.27148 211.6
[M+H-H2O]+ 401.30558 203.9
[M+HCOO]- 463.30652 224.8
[M+CH3COO]- 477.32217 227.6
[M+Na-2H]- 439.28299 207.8
[M]+ 418.30777 217.8
[M]- 418.30887 217.8
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.