CID 61374

2-[(4-nonylphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-14-18-15-20-18/h10-13,18H,2-9,14-15H2,1H3
InChIKey
AVKQYWUBGXNBCW-UHFFFAOYSA-N
Compound name
2-[(4-nonylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2293
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

No literature data available for this compound.

Patent stripe

patents stripe