CID 5743438

34649-59-7

Structural Information

Molecular Formula
C21H34O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-17-21-18-23-21/h13-16,21H,2-12,17-18H2,1H3
InChIKey
MSWONMWDQHSVIY-UHFFFAOYSA-N
Compound name
2-[(4-dodecylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

318.2559 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.26318 179.7
[M+Na]+ 341.24512 184.9
[M-H]- 317.24862 186.1
[M+NH4]+ 336.28972 188.5
[M+K]+ 357.21906 181.6
[M+H-H2O]+ 301.25316 170.8
[M+HCOO]- 363.25410 200.3
[M+CH3COO]- 377.26975 212.8
[M+Na-2H]- 339.23057 182.4
[M]+ 318.25535 188.6
[M]- 318.25645 188.6
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

patents stripe