CID 24467

Brn 0399453

Structural Information

Molecular Formula

C₁₅H₁₆O₃

SMILES

CC(COC1=CC=C(C2=CC=CC=C21)C(=O)C)O

InChI

InChI=1S/C15H16O3/c1-10(16)9-18-15-8-7-12(11(2)17)13-5-3-4-6-14(13)15/h3-8,10,16H,9H2,1-2H3

InChIKey

LYQLKLJMPLDCIZ-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxypropoxy)naphthalen-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.10994 Da
Monoisotopic Mass: 2.6
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]+	245.117216	154.4
[M+Na]+	267.099158	161.6
[M-H]-	243.102664	157.6
[M+NH4]+	262.143763	172.2
[M+K]+	283.073098	158.7
[M+H-H2O]+	227.107200	148.1
[M+HCOO]-	289.108141	174.1
[M+CH3COO]-	303.123791	193.6
[M+Na-2H]-	265.084606	158.4
[M]+	244.10939142	156.4
[M]-	244.11048858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe