CID 65509

4-acetamidosalicylic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChIKey
YBTVSGCNBZPRBD-UHFFFAOYSA-N
Compound name
4-acetamido-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

356
Patents

195.05316 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 140.1
[M+Na]+ 218.04238 150.0
[M+NH4]+ 213.08698 146.0
[M+K]+ 234.01632 146.9
[M-H]- 194.04588 139.8
[M+Na-2H]- 216.02783 144.1
[M]+ 195.05261 141.0
[M]- 195.05371 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe