CID 3056699

1,4-bis(2-hydroxypropoxy)naphthalene

Structural Information

Molecular Formula
C16H20O4
SMILES
CC(COC1=CC=C(C2=CC=CC=C21)OCC(C)O)O
InChI
InChI=1S/C16H20O4/c1-11(17)9-19-15-7-8-16(20-10-12(2)18)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3
InChIKey
HCFOKLZURRLZLZ-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

276.13617 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14345 163.3
[M+Na]+ 299.12539 174.9
[M+NH4]+ 294.16999 170.5
[M+K]+ 315.09933 169.4
[M-H]- 275.12889 164.4
[M+Na-2H]- 297.11084 167.7
[M]+ 276.13562 165.1
[M]- 276.13672 165.1
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

patents stripe