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

8
Annotation Hits: 1244
References: 95286
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]+	123.04406	120.9
[M+Na]+	145.02600	134.3
[M+NH4]+	140.07060	129.7
[M+K]+	160.99994	128.1
[M-H]-	121.02950	122.7
[M+Na-2H]-	143.01145	128.4
[M]+	122.03623	123.2
[M]-	122.03733	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe