CID 97645

28418-86-2

Structural Information

Molecular Formula
C13H12O
SMILES
CC1=CC=C(C2=CC=CC=C12)C(=O)C
InChI
InChI=1S/C13H12O/c1-9-7-8-12(10(2)14)13-6-4-3-5-11(9)13/h3-8H,1-2H3
InChIKey
BKGIZYOJHJKFJP-UHFFFAOYSA-N
Compound name
1-(4-methylnaphthalen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

184.08882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.096096 137.4
[M+Na]+ 207.078038 146.5
[M-H]- 183.081544 142.5
[M+NH4]+ 202.122643 158.8
[M+K]+ 223.051978 143.3
[M+H-H2O]+ 167.086080 131.7
[M+HCOO]- 229.087021 160.1
[M+CH3COO]- 243.102671 185.1
[M+Na-2H]- 205.063486 144.3
[M]+ 184.08827142 138.5
[M]- 184.08936858 138.5
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