CID 21403

1-ethoxynaphthalene

Structural Information

Molecular Formula
C12H12O
SMILES
CCOC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKey
APWZAIZNWQFZBK-UHFFFAOYSA-N
Compound name
1-ethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4767
Patents

172.08882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.4
[M+Na]+ 195.07804 143.0
[M-H]- 171.08154 139.2
[M+NH4]+ 190.12264 156.1
[M+K]+ 211.05198 140.1
[M+H-H2O]+ 155.08608 128.5
[M+HCOO]- 217.08702 158.2
[M+CH3COO]- 231.10267 181.0
[M+Na-2H]- 193.06349 143.7
[M]+ 172.08827 136.0
[M]- 172.08937 136.0
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