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 163.8
[M+Na]+ 299.12539 169.6
[M-H]- 275.12889 165.3
[M+NH4]+ 294.16999 179.6
[M+K]+ 315.09933 167.0
[M+H-H2O]+ 259.13343 157.2
[M+HCOO]- 321.13437 181.6
[M+CH3COO]- 335.15002 197.0
[M+Na-2H]- 297.11084 166.8
[M]+ 276.13562 166.5
[M]- 276.13672 166.5
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