CID 594775

6-methoxy-1,2-dihydronaphthalene

Structural Information

Molecular Formula
C11H12O
SMILES
COC1=CC2=C(CCC=C2)C=C1
InChI
InChI=1S/C11H12O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3,5-8H,2,4H2,1H3
InChIKey
SUSHJFGCRWJSAQ-UHFFFAOYSA-N
Compound name
6-methoxy-1,2-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

160.08882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 131.2
[M+Na]+ 183.078038 139.2
[M-H]- 159.081544 135.8
[M+NH4]+ 178.122643 153.3
[M+K]+ 199.051978 136.7
[M+H-H2O]+ 143.086080 125.5
[M+HCOO]- 205.087021 153.9
[M+CH3COO]- 219.102671 178.3
[M+Na-2H]- 181.063486 140.1
[M]+ 160.08827142 131.0
[M]- 160.08936858 131.0
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