CID 185282

93633-24-0

Structural Information

Molecular Formula

C₁₈H₃₀O₃

SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)OCCOCCO

InChI

InChI=1S/C18H30O3/c1-4-5-6-11-18(2,3)16-7-9-17(10-8-16)21-15-14-20-13-12-19/h7-10,19H,4-6,11-15H2,1-3H3

InChIKey

MPOLWKREQBPNLC-UHFFFAOYSA-N

Compound name

2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 294.21948 Da
Monoisotopic Mass: 4.9
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]+	295.226756	175.4
[M+Na]+	317.208698	179.7
[M-H]-	293.212204	176.5
[M+NH4]+	312.253303	190.4
[M+K]+	333.182638	176.8
[M+H-H2O]+	277.216740	168.6
[M+HCOO]-	339.217681	194.5
[M+CH3COO]-	353.233331	203.3
[M+Na-2H]-	315.194146	178.3
[M]+	294.21893142	181.0
[M]-	294.22002858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe