CID 45916

1-naphthol, 2-(beta-hydroxyethoxy)-

Structural Information

Molecular Formula
C12H12O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)OCCO
InChI
InChI=1S/C12H12O3/c13-7-8-15-11-6-5-9-3-1-2-4-10(9)12(11)14/h1-6,13-14H,7-8H2
InChIKey
NOAKNIBBYMXTBU-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 141.6
[M+Na]+ 227.067858 150.0
[M-H]- 203.071364 143.8
[M+NH4]+ 222.112463 160.6
[M+K]+ 243.041798 146.5
[M+H-H2O]+ 187.075900 135.9
[M+HCOO]- 249.076841 162.7
[M+CH3COO]- 263.092491 181.1
[M+Na-2H]- 225.053306 149.2
[M]+ 204.07809142 142.7
[M]- 204.07918858 142.7
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