CID 16205634

Phenyl 5,6,7,8-tetrahydro-1-hydroxy-2-naphthoate

Structural Information

Molecular Formula

C₁₇H₁₆O₃

SMILES

C1CCC2=C(C1)C=CC(=C2O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H16O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2

InChIKey

ILYUJAPQYVAEIX-UHFFFAOYSA-N

Compound name

phenyl 1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 268.10995 Da
Monoisotopic Mass: 4.9
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]+	269.117226	159.9
[M+Na]+	291.099168	165.8
[M-H]-	267.102674	165.6
[M+NH4]+	286.143773	176.2
[M+K]+	307.073108	161.7
[M+H-H2O]+	251.107210	152.2
[M+HCOO]-	313.108151	178.4
[M+CH3COO]-	327.123801	194.8
[M+Na-2H]-	289.084616	164.5
[M]+	268.10940142	157.6
[M]-	268.11049858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe