CID 603535

2-vinyl-6-methoxynaphthalene

Structural Information

Molecular Formula
C13H12O
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C=C
InChI
InChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3
InChIKey
DGQUMYDUFBBKPK-UHFFFAOYSA-N
Compound name
2-ethenyl-6-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

516
Patents

184.08882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09610 137.4
[M+Na]+ 207.07804 146.8
[M-H]- 183.08154 142.4
[M+NH4]+ 202.12264 158.8
[M+K]+ 223.05198 143.1
[M+H-H2O]+ 167.08608 131.5
[M+HCOO]- 229.08702 161.0
[M+CH3COO]- 243.10267 184.3
[M+Na-2H]- 205.06349 145.5
[M]+ 184.08827 139.0
[M]- 184.08937 139.0
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