CID 10857269

16563-45-4

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C1=CC=C2C(=C1)C=CC=C2OCCCC(=O)O

InChI

InChI=1S/C14H14O3/c15-14(16)9-4-10-17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,15,16)

InChIKey

VZLRADDUUOXYSL-UHFFFAOYSA-N

Compound name

4-naphthalen-1-yloxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 230.0943 Da
Monoisotopic Mass: 3.5
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	150.0
[M+Na]+	253.083518	157.0
[M-H]-	229.087024	152.9
[M+NH4]+	248.128123	168.2
[M+K]+	269.057458	153.7
[M+H-H2O]+	213.091560	143.5
[M+HCOO]-	275.092501	171.1
[M+CH3COO]-	289.108151	188.5
[M+Na-2H]-	251.068966	156.4
[M]+	230.09375142	151.9
[M]-	230.09484858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe