CID 107248

((p-octylphenoxy)methyl)oxirane

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCCCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-17-14-19-17/h9-12,17H,2-8,13-14H2,1H3
InChIKey
DEVITEWVQCISFK-UHFFFAOYSA-N
Compound name
2-[(4-octylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

408
Patents

262.19327 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 162.7
[M+Na]+ 285.18249 169.7
[M-H]- 261.18599 170.0
[M+NH4]+ 280.22709 173.8
[M+K]+ 301.15643 167.3
[M+H-H2O]+ 245.19053 154.7
[M+HCOO]- 307.19147 184.7
[M+CH3COO]- 321.20712 201.5
[M+Na-2H]- 283.16794 167.5
[M]+ 262.19272 170.3
[M]- 262.19382 170.3
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