CID 5744287

((o-nonylphenoxy)methyl)oxirane

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCCCCCCCC1=CC=CC=C1OCC2CO2
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-18(16)20-15-17-14-19-17/h9-10,12-13,17H,2-8,11,14-15H2,1H3
InChIKey
WNISWKAEAPQCJQ-UHFFFAOYSA-N
Compound name
2-[(2-nonylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3249
Patents

276.20892 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.216196 167.0
[M+Na]+ 299.198138 173.5
[M-H]- 275.201644 174.1
[M+NH4]+ 294.242743 177.5
[M+K]+ 315.172078 170.9
[M+H-H2O]+ 259.206180 158.7
[M+HCOO]- 321.207121 188.6
[M+CH3COO]- 335.222771 204.3
[M+Na-2H]- 297.183586 171.3
[M]+ 276.20837142 174.9
[M]- 276.20946858 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe