CID 45455

Beta-naphthylethyl ether

Structural Information

Molecular Formula
C24H22O
SMILES
C1=CC=C2C=C(C=CC2=C1)CCOCCC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H22O/c1-3-7-23-17-19(9-11-21(23)5-1)13-15-25-16-14-20-10-12-22-6-2-4-8-24(22)18-20/h1-12,17-18H,13-16H2
InChIKey
UAQFADWTDBIBBZ-UHFFFAOYSA-N
Compound name
2-[2-(2-naphthalen-2-ylethoxy)ethyl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1572
Patents

326.16705 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17433 179.5
[M+Na]+ 349.15627 187.1
[M-H]- 325.15977 187.3
[M+NH4]+ 344.20087 195.0
[M+K]+ 365.13021 179.8
[M+H-H2O]+ 309.16431 169.6
[M+HCOO]- 371.16525 201.2
[M+CH3COO]- 385.18090 190.4
[M+Na-2H]- 347.14172 187.4
[M]+ 326.16650 182.4
[M]- 326.16760 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe