CID 5148282

1-ethyl-6-methoxynaphthalene

Structural Information

Molecular Formula
C13H14O
SMILES
CCC1=CC=CC2=C1C=CC(=C2)OC
InChI
InChI=1S/C13H14O/c1-3-10-5-4-6-11-9-12(14-2)7-8-13(10)11/h4-9H,3H2,1-2H3
InChIKey
ZWHXIACBBBVCQL-UHFFFAOYSA-N
Compound name
1-ethyl-6-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

186.10446 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 138.8
[M+Na]+ 209.09368 147.9
[M-H]- 185.09718 143.8
[M+NH4]+ 204.13828 160.2
[M+K]+ 225.06762 144.8
[M+H-H2O]+ 169.10172 132.9
[M+HCOO]- 231.10266 162.3
[M+CH3COO]- 245.11831 185.1
[M+Na-2H]- 207.07913 146.8
[M]+ 186.10391 141.1
[M]- 186.10501 141.1
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