CID 23046889

Schembl10457645

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

CCC(=O)C1=CC2=C(C=CC(=C2)C)C=C1

InChI

InChI=1S/C14H14O/c1-3-14(15)12-7-6-11-5-4-10(2)8-13(11)9-12/h4-9H,3H2,1-2H3

InChIKey

WHNWJDNPVJRRSI-UHFFFAOYSA-N

Compound name

1-(7-methylnaphthalen-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.10446 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.11174	143.0
[M+Na]+	221.09368	158.1
[M+NH4]+	216.13828	152.9
[M+K]+	237.06762	149.8
[M-H]-	197.09718	146.7
[M+Na-2H]-	219.07913	150.8
[M]+	198.10391	146.4
[M]-	198.10501	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe