CID 177843274

Dtxsid501369888

Structural Information

Molecular Formula
C21H34O4
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)C2OC(OO2)C
InChI
InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-20(22)19(16-18)21-23-17(2)24-25-21/h14-17,21-22H,3-13H2,1-2H3
InChIKey
SVDWPCFTFFPTLV-UHFFFAOYSA-N
Compound name
4-dodecyl-2-(5-methyl-1,2,4-trioxolan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.2457 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25298 192.2
[M+Na]+ 373.23492 196.1
[M-H]- 349.23842 198.1
[M+NH4]+ 368.27952 202.7
[M+K]+ 389.20886 195.0
[M+H-H2O]+ 333.24296 185.1
[M+HCOO]- 395.24390 208.5
[M+CH3COO]- 409.25955 213.1
[M+Na-2H]- 371.22037 191.9
[M]+ 350.24515 198.6
[M]- 350.24625 198.6
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.