CID 16668

1-methoxynaphthalene

Structural Information

Molecular Formula
C11H10O
SMILES
COC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKey
NQMUGNMMFTYOHK-UHFFFAOYSA-N
Compound name
1-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

9585
Patents

158.07317 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 130.3
[M+Na]+ 181.06239 145.9
[M+NH4]+ 176.10699 141.1
[M+K]+ 197.03633 137.5
[M-H]- 157.06589 134.6
[M+Na-2H]- 179.04784 139.7
[M]+ 158.07262 134.0
[M]- 158.07372 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe