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]+ 303.159076 171.5
[M+Na]+ 325.141018 176.8
[M-H]- 301.144524 174.1
[M+NH4]+ 320.185623 186.7
[M+K]+ 341.114958 174.5
[M+H-H2O]+ 285.149060 164.5
[M+HCOO]- 347.150001 189.3
[M+CH3COO]- 361.165651 205.5
[M+Na-2H]- 323.126466 172.7
[M]+ 302.15125142 175.4
[M]- 302.15234858 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.