CID 51864

Brn 1997261

Structural Information

Molecular Formula
C17H18O4
SMILES
CCC(=O)COC1=CC=C(C2=CC=CC=C21)C(=O)COC
InChI
InChI=1S/C17H18O4/c1-3-12(18)10-21-17-9-8-14(16(19)11-20-2)13-6-4-5-7-15(13)17/h4-9H,3,10-11H2,1-2H3
InChIKey
MJJQPGOSAXWINC-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyacetyl)naphthalen-1-yl]oxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.1
[M+Na]+ 309.10972 171.9
[M-H]- 285.11322 169.3
[M+NH4]+ 304.15432 181.7
[M+K]+ 325.08366 169.5
[M+H-H2O]+ 269.11776 157.9
[M+HCOO]- 331.11870 186.0
[M+CH3COO]- 345.13435 203.3
[M+Na-2H]- 307.09517 168.5
[M]+ 286.11995 170.4
[M]- 286.12105 170.4
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.