CID 580771

3-ethoxy-4-methoxyphenol

Structural Information

Molecular Formula
C9H12O3
SMILES
CCOC1=C(C=CC(=C1)O)OC
InChI
InChI=1S/C9H12O3/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6,10H,3H2,1-2H3
InChIKey
YYXJGWHFSNJMDX-UHFFFAOYSA-N
Compound name
3-ethoxy-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

168.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 132.8
[M+Na]+ 191.06786 141.5
[M-H]- 167.07136 135.7
[M+NH4]+ 186.11246 153.2
[M+K]+ 207.04180 140.4
[M+H-H2O]+ 151.07590 127.5
[M+HCOO]- 213.07684 156.6
[M+CH3COO]- 227.09249 177.0
[M+Na-2H]- 189.05331 139.2
[M]+ 168.07809 136.0
[M]- 168.07919 136.0
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