CID 17890

2876-62-2

Structural Information

Molecular Formula
C14H14O
SMILES
CCCC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H14O/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChIKey
HHEPNSXKXOXNQV-UHFFFAOYSA-N
Compound name
1-naphthalen-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

198.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.111736 143.0
[M+Na]+ 221.093678 150.6
[M-H]- 197.097184 147.4
[M+NH4]+ 216.138283 163.4
[M+K]+ 237.067618 147.1
[M+H-H2O]+ 181.101720 136.7
[M+HCOO]- 243.102661 165.2
[M+CH3COO]- 257.118311 187.0
[M+Na-2H]- 219.079126 149.9
[M]+ 198.10391142 143.9
[M]- 198.10500858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe