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

0
Patents

204.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 141.6
[M+Na]+ 227.06786 150.0
[M-H]- 203.07136 143.8
[M+NH4]+ 222.11246 160.6
[M+K]+ 243.04180 146.5
[M+H-H2O]+ 187.07590 135.9
[M+HCOO]- 249.07684 162.7
[M+CH3COO]- 263.09249 181.1
[M+Na-2H]- 225.05331 149.2
[M]+ 204.07809 142.7
[M]- 204.07919 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