CID 5743438

Einecs 252-127-8

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

320
Patents

318.2559 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.263176 179.7
[M+Na]+ 341.245118 184.9
[M-H]- 317.248624 186.1
[M+NH4]+ 336.289723 188.5
[M+K]+ 357.219058 181.6
[M+H-H2O]+ 301.253160 170.8
[M+HCOO]- 363.254101 200.3
[M+CH3COO]- 377.269751 212.8
[M+Na-2H]- 339.230566 182.4
[M]+ 318.25535142 188.6
[M]- 318.25644858 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