CID 21885285

39839-49-1

Structural Information

Molecular Formula
C10H9NO4
SMILES
C=CC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C10H9NO4/c1-2-9(13)11-6-3-4-8(12)7(5-6)10(14)15/h2-5,12H,1H2,(H,11,13)(H,14,15)
InChIKey
QQSAUUOOHVYERA-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(prop-2-enoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

207.05316 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 141.9
[M+Na]+ 230.04238 149.2
[M-H]- 206.04588 143.3
[M+NH4]+ 225.08698 159.1
[M+K]+ 246.01632 146.6
[M+H-H2O]+ 190.05042 136.2
[M+HCOO]- 252.05136 163.6
[M+CH3COO]- 266.06701 183.4
[M+Na-2H]- 228.02783 145.0
[M]+ 207.05261 140.7
[M]- 207.05371 140.7
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