CID 51963

Brn 1982891

Structural Information

Molecular Formula
C16H18O4
SMILES
CC(COC1=CC=C(C2=CC=CC=C21)C(=O)COC)O
InChI
InChI=1S/C16H18O4/c1-11(17)9-20-16-8-7-13(15(18)10-19-2)12-5-3-4-6-14(12)16/h3-8,11,17H,9-10H2,1-2H3
InChIKey
DQOBFRRLKCTEMC-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1205 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.127776 162.2
[M+Na]+ 297.109718 168.7
[M-H]- 273.113224 165.1
[M+NH4]+ 292.154323 178.6
[M+K]+ 313.083658 166.3
[M+H-H2O]+ 257.117760 155.4
[M+HCOO]- 319.118701 181.7
[M+CH3COO]- 333.134351 198.7
[M+Na-2H]- 295.095166 165.6
[M]+ 274.11995142 166.0
[M]- 274.12104858 166.0
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.