CID 338

Salicylic acid

Structural Information

Molecular Formula

C₇H₆O₃

SMILES

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

InChI

InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

InChIKey

YGSDEFSMJLZEOE-UHFFFAOYSA-N

Compound name

2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 25970
References: 199400
Patents: 138.0317 Da
Monoisotopic Mass: 2.3
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]+	139.038976	123.7
[M+Na]+	161.020918	132.0
[M-H]-	137.024424	125.3
[M+NH4]+	156.065523	144.1
[M+K]+	176.994858	130.3
[M+H-H2O]+	121.028960	119.0
[M+HCOO]-	183.029901	145.9
[M+CH3COO]-	197.045551	167.2
[M+Na-2H]-	159.006366	130.1
[M]+	138.03115142	122.5
[M]-	138.03224858	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe