CID 77043

4-(1-naphthyl)butan-2-one

Structural Information

Molecular Formula
C14H14O
SMILES
CC(=O)CCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H14O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3
InChIKey
VEYCCHNUJNXSRR-UHFFFAOYSA-N
Compound name
4-naphthalen-1-ylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
Patents

198.10446 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.