CID 220079

2-(4-methoxyphenoxy)ethanol

Structural Information

Molecular Formula
C9H12O3
SMILES
COC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C9H12O3/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5,10H,6-7H2,1H3
InChIKey
OOWGFJQYZCXHEY-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

201
Patents

168.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 133.4
[M+Na]+ 191.06786 141.2
[M-H]- 167.07136 135.9
[M+NH4]+ 186.11246 153.4
[M+K]+ 207.04180 140.0
[M+H-H2O]+ 151.07590 127.8
[M+HCOO]- 213.07684 157.2
[M+CH3COO]- 227.09249 175.9
[M+Na-2H]- 189.05331 140.5
[M]+ 168.07809 136.2
[M]- 168.07919 136.2
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