CID 575374

4-isopropyl-2-pentadecyl-1,3-dioxolane

Structural Information

Molecular Formula
C21H42O2
SMILES
CCCCCCCCCCCCCCCC1OCC(O1)C(C)C
InChI
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-20(23-21)19(2)3/h19-21H,4-18H2,1-3H3
InChIKey
YYVOCDSHVIDWES-UHFFFAOYSA-N
Compound name
2-pentadecyl-4-propan-2-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.31848 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.325756 193.9
[M+Na]+ 349.307698 194.8
[M-H]- 325.311204 195.9
[M+NH4]+ 344.352303 207.3
[M+K]+ 365.281638 193.6
[M+H-H2O]+ 309.315740 186.9
[M+HCOO]- 371.316681 209.7
[M+CH3COO]- 385.332331 214.1
[M+Na-2H]- 347.293146 191.2
[M]+ 326.31793142 199.7
[M]- 326.31902858 199.7
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.