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 171.5
[M+Na]+ 325.14102 176.8
[M-H]- 301.14452 174.1
[M+NH4]+ 320.18562 186.7
[M+K]+ 341.11496 174.5
[M+H-H2O]+ 285.14906 164.5
[M+HCOO]- 347.15000 189.3
[M+CH3COO]- 361.16565 205.5
[M+Na-2H]- 323.12647 172.7
[M]+ 302.15125 175.4
[M]- 302.15235 175.4
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

No patent data available for this compound.