CID 51976

Brn 2584176

Structural Information

Molecular Formula
C15H14O3
SMILES
CC(=O)COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C
InChI
InChI=1S/C15H14O3/c1-10(16)9-18-15-6-5-13-7-12(11(2)17)3-4-14(13)8-15/h3-8H,9H2,1-2H3
InChIKey
KYZJPMUCJBTDBQ-UHFFFAOYSA-N
Compound name
1-(6-acetylnaphthalen-2-yl)oxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 152.4
[M+Na]+ 265.08352 160.3
[M-H]- 241.08702 157.0
[M+NH4]+ 260.12812 171.0
[M+K]+ 281.05746 157.7
[M+H-H2O]+ 225.09156 145.9
[M+HCOO]- 287.09250 173.8
[M+CH3COO]- 301.10815 195.3
[M+Na-2H]- 263.06897 156.9
[M]+ 242.09375 155.6
[M]- 242.09485 155.6
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.