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
4
Annotation Hits

24
References

11101
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 129.6
[M+Na]+ 181.06239 138.6
[M-H]- 157.06589 134.6
[M+NH4]+ 176.10699 151.9
[M+K]+ 197.03633 136.0
[M+H-H2O]+ 141.07043 123.9
[M+HCOO]- 203.07137 153.8
[M+CH3COO]- 217.08702 178.0
[M+Na-2H]- 179.04784 139.5
[M]+ 158.07262 130.9
[M]- 158.07372 130.9
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