CID 17890

1'-butyronaphthone

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

148
Patents

198.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.4
[M+Na]+ 221.09368 158.1
[M+NH4]+ 216.13828 153.4
[M+K]+ 237.06762 149.7
[M-H]- 197.09718 147.1
[M+Na-2H]- 219.07913 151.5
[M]+ 198.10391 146.7
[M]- 198.10501 146.7
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