CID 3056721

2'-propionaphthone, 1'-(acetonyloxy)-

Structural Information

Molecular Formula
C16H16O3
SMILES
CCC(=O)C1=C(C2=CC=CC=C2C=C1)OCC(=O)C
InChI
InChI=1S/C16H16O3/c1-3-15(18)14-9-8-12-6-4-5-7-13(12)16(14)19-10-11(2)17/h4-9H,3,10H2,1-2H3
InChIKey
SLUVVOMOPIVVKI-UHFFFAOYSA-N
Compound name
1-[1-(2-oxopropoxy)naphthalen-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.2
[M+Na]+ 279.09917 164.7
[M-H]- 255.10267 161.6
[M+NH4]+ 274.14377 175.2
[M+K]+ 295.07311 161.8
[M+H-H2O]+ 239.10721 150.5
[M+HCOO]- 301.10815 178.3
[M+CH3COO]- 315.12380 198.3
[M+Na-2H]- 277.08462 161.1
[M]+ 256.10940 160.8
[M]- 256.11050 160.8
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.