CID 6998

Salicylaldehyde

Structural Information

Molecular Formula

C₇H₆O₂

SMILES

C1=CC=C(C(=C1)C=O)O

InChI

InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H

InChIKey

SMQUZDBALVYZAC-UHFFFAOYSA-N

Compound name

2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1252
References: 125390
Patents: 122.03678 Da
Monoisotopic Mass: 1.8
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]+	123.044056	119.5
[M+Na]+	145.025998	128.6
[M-H]-	121.029504	122.5
[M+NH4]+	140.070603	141.4
[M+K]+	160.999938	126.8
[M+H-H2O]+	105.034040	114.8
[M+HCOO]-	167.034981	144.0
[M+CH3COO]-	181.050631	166.8
[M+Na-2H]-	143.011446	127.8
[M]+	122.03623142	119.4
[M]-	122.03732858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe