CID 66913

2-[2-(4-methylphenoxy)ethoxy]ethanol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

196.10994 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe