CID 24476

7770-79-8

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

CC(=O)C1=CC=C(C2=CC=CC=C21)OCCO

InChI

InChI=1S/C14H14O3/c1-10(16)11-6-7-14(17-9-8-15)13-5-3-2-4-12(11)13/h2-7,15H,8-9H2,1H3

InChIKey

QHVYMDPABLEVKQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 230.0943 Da
Monoisotopic Mass: 2.1
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]+	231.101576	149.6
[M+Na]+	253.083518	157.5
[M-H]-	229.087024	152.9
[M+NH4]+	248.128123	168.1
[M+K]+	269.057458	154.4
[M+H-H2O]+	213.091560	143.4
[M+HCOO]-	275.092501	170.7
[M+CH3COO]-	289.108151	189.7
[M+Na-2H]-	251.068966	155.4
[M]+	230.09375142	152.0
[M]-	230.09484858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe