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

7
Patents

276.13617 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.143446 163.8
[M+Na]+ 299.125388 169.6
[M-H]- 275.128894 165.3
[M+NH4]+ 294.169993 179.6
[M+K]+ 315.099328 167.0
[M+H-H2O]+ 259.133430 157.2
[M+HCOO]- 321.134371 181.6
[M+CH3COO]- 335.150021 197.0
[M+Na-2H]- 297.110836 166.8
[M]+ 276.13562142 166.5
[M]- 276.13671858 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