CID 20208170

Phenol, 2-ethoxy-4-[(1-methylethoxy)methyl]-

Structural Information

Molecular Formula
C12H18O3
SMILES
CCOC1=C(C=CC(=C1)COC(C)C)O
InChI
InChI=1S/C12H18O3/c1-4-14-12-7-10(5-6-11(12)13)8-15-9(2)3/h5-7,9,13H,4,8H2,1-3H3
InChIKey
YZRQXLRQRMJMCX-UHFFFAOYSA-N
Compound name
2-ethoxy-4-(propan-2-yloxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

210.1256 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.132876 147.1
[M+Na]+ 233.114818 154.3
[M-H]- 209.118324 149.5
[M+NH4]+ 228.159423 165.7
[M+K]+ 249.088758 152.9
[M+H-H2O]+ 193.122860 141.3
[M+HCOO]- 255.123801 168.9
[M+CH3COO]- 269.139451 186.9
[M+Na-2H]- 231.100266 150.6
[M]+ 210.12505142 150.7
[M]- 210.12614858 150.7
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