CID 51860

1-(4-ethoxyacetyl-1-naphthyloxy)-2-propanol

Structural Information

Molecular Formula
C17H20O4
SMILES
CCOCC(=O)C1=CC=C(C2=CC=CC=C21)OCC(C)O
InChI
InChI=1S/C17H20O4/c1-3-20-11-16(19)14-8-9-17(21-10-12(2)18)15-7-5-4-6-13(14)15/h4-9,12,18H,3,10-11H2,1-2H3
InChIKey
VYBYSFGEPHGUMR-UHFFFAOYSA-N
Compound name
2-ethoxy-1-[4-(2-hydroxypropoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.9
[M+Na]+ 311.12539 173.0
[M-H]- 287.12889 169.6
[M+NH4]+ 306.16999 182.8
[M+K]+ 327.09933 170.3
[M+H-H2O]+ 271.13343 159.9
[M+HCOO]- 333.13437 186.1
[M+CH3COO]- 347.15002 201.6
[M+Na-2H]- 309.11084 169.8
[M]+ 288.13562 171.1
[M]- 288.13672 171.1
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.