CID 735835

51557-26-7

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)O

InChI

InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+

InChIKey

KWGPBDBAAXYWOJ-SOFGYWHQSA-N

Compound name

(E)-3-naphthalen-2-ylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 389
Patents: 198.06808 Da
Monoisotopic Mass: 3.4
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]+	199.07536	140.9
[M+Na]+	221.05730	148.9
[M-H]-	197.06080	144.2
[M+NH4]+	216.10190	160.6
[M+K]+	237.03124	144.7
[M+H-H2O]+	181.06534	135.1
[M+HCOO]-	243.06628	162.5
[M+CH3COO]-	257.08193	181.9
[M+Na-2H]-	219.04275	148.0
[M]+	198.06753	140.3
[M]-	198.06863	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe