CID 24469

Brn 2537345

Structural Information

Molecular Formula
C18H22O4
SMILES
CC(C)OCC(COC1=CC=C(C2=CC=CC=C21)C(=O)C)O
InChI
InChI=1S/C18H22O4/c1-12(2)21-10-14(20)11-22-18-9-8-15(13(3)19)16-6-4-5-7-17(16)18/h4-9,12,14,20H,10-11H2,1-3H3
InChIKey
NFGWMGZNGLKAFF-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 170.5
[M+Na]+ 325.14102 181.9
[M+NH4]+ 320.18562 177.3
[M+K]+ 341.11496 176.4
[M-H]- 301.14452 171.5
[M+Na-2H]- 323.12647 174.5
[M]+ 302.15125 172.3
[M]- 302.15235 172.3
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

No patent data available for this compound.