CID 575411

4,4,5-trimethyl-2-pentadecyl-1,3-dioxolane

Structural Information

Molecular Formula
C21H42O2
SMILES
CCCCCCCCCCCCCCCC1OC(C(O1)(C)C)C
InChI
InChI=1S/C21H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-19(2)21(3,4)23-20/h19-20H,5-18H2,1-4H3
InChIKey
FBQXFNAUEZWOIJ-UHFFFAOYSA-N
Compound name
4,4,5-trimethyl-2-pentadecyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.31848 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.325756 188.8
[M+Na]+ 349.307698 191.8
[M-H]- 325.311204 191.5
[M+NH4]+ 344.352303 204.7
[M+K]+ 365.281638 190.5
[M+H-H2O]+ 309.315740 183.1
[M+HCOO]- 371.316681 205.6
[M+CH3COO]- 385.332331 214.0
[M+Na-2H]- 347.293146 188.3
[M]+ 326.31793142 196.0
[M]- 326.31902858 196.0
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

No patent data available for this compound.