CID 61374

6178-32-1

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

1
Annotation Hits: 0
References: 1831
Patents: 276.20892 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.21620	166.7
[M+Na]+	299.19814	180.3
[M+NH4]+	294.24274	175.3
[M+K]+	315.17208	173.4
[M-H]-	275.20164	178.3
[M+Na-2H]-	297.18359	175.3
[M]+	276.20837	173.1
[M]-	276.20947	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe