CID 5275368

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

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCCCCCCCCCCC1[C@H](C2C(O1)OC(O2)(C)C)OC
InChI
InChI=1S/C24H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(25-4)22-23(26-20)28-24(2,3)27-22/h20-23H,5-19H2,1-4H3/t20?,21-,22?,23?/m1/s1
InChIKey
YPNHUEDIXFVVHY-YQEOXULRSA-N
Compound name
(6R)-5-hexadecyl-6-methoxy-2,2-dimethyl-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

398.3396 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 207.5
[M+Na]+ 421.32882 210.2
[M-H]- 397.33232 211.2
[M+NH4]+ 416.37342 221.7
[M+K]+ 437.30276 209.4
[M+H-H2O]+ 381.33686 202.9
[M+HCOO]- 443.33780 221.6
[M+CH3COO]- 457.35345 226.0
[M+Na-2H]- 419.31427 205.3
[M]+ 398.33905 217.4
[M]- 398.34015 217.4
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.