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]+ 351.252976 192.2
[M+Na]+ 373.234918 196.1
[M-H]- 349.238424 198.1
[M+NH4]+ 368.279523 202.7
[M+K]+ 389.208858 195.0
[M+H-H2O]+ 333.242960 185.1
[M+HCOO]- 395.243901 208.5
[M+CH3COO]- 409.259551 213.1
[M+Na-2H]- 371.220366 191.9
[M]+ 350.24515142 198.6
[M]- 350.24624858 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.