CID 19766962

2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CC(C2=CC=CC=C2C1)OCC(=O)O

InChI

InChI=1S/C12H14O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,13,14)

InChIKey

BYFHZBLEBSOMPZ-UHFFFAOYSA-N

Compound name

2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 206.0943 Da
Monoisotopic Mass: 2.0
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]+	207.101576	143.4
[M+Na]+	229.083518	149.2
[M-H]-	205.087024	145.9
[M+NH4]+	224.128123	162.4
[M+K]+	245.057458	146.8
[M+H-H2O]+	189.091560	137.4
[M+HCOO]-	251.092501	162.3
[M+CH3COO]-	265.108151	183.2
[M+Na-2H]-	227.068966	148.9
[M]+	206.09375142	141.8
[M]-	206.09484858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe