CID 80587

1-(naphthalen-2-yl)propan-1-one

Structural Information

Molecular Formula
C13H12O
SMILES
CCC(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H12O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKey
QLYPHTMKMPIJNG-UHFFFAOYSA-N
Compound name
1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

374
Patents

184.08882 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.096096 138.1
[M+Na]+ 207.078038 146.3
[M-H]- 183.081544 142.8
[M+NH4]+ 202.122643 159.1
[M+K]+ 223.051978 143.0
[M+H-H2O]+ 167.086080 132.2
[M+HCOO]- 229.087021 160.8
[M+CH3COO]- 243.102671 184.0
[M+Na-2H]- 205.063486 145.7
[M]+ 184.08827142 138.7
[M]- 184.08936858 138.7
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