CID 3018453

2-[2-(3-methylphenoxy)ethoxy]ethanol

Structural Information

Molecular Formula
C11H16O3
SMILES
CC1=CC(=CC=C1)OCCOCCO
InChI
InChI=1S/C11H16O3/c1-10-3-2-4-11(9-10)14-8-7-13-6-5-12/h2-4,9,12H,5-8H2,1H3
InChIKey
FQZYXSHXSFLYAS-UHFFFAOYSA-N
Compound name
2-[2-(3-methylphenoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 142.7
[M+Na]+ 219.099158 149.7
[M-H]- 195.102664 144.8
[M+NH4]+ 214.143763 161.6
[M+K]+ 235.073098 148.0
[M+H-H2O]+ 179.107200 136.7
[M+HCOO]- 241.108141 165.8
[M+CH3COO]- 255.123791 181.9
[M+Na-2H]- 217.084606 148.7
[M]+ 196.10939142 146.2
[M]- 196.11048858 146.2
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

No patent data available for this compound.