CID 171252

53193-87-6

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC(=C)C(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C11H11NO4/c1-6(2)10(14)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,13H,1H2,2H3,(H,12,14)(H,15,16)
InChIKey
XEYLAWVXYZUVDD-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(2-methylprop-2-enoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

771
Patents

221.0688 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.5
[M+Na]+ 244.05802 153.1
[M-H]- 220.06152 147.8
[M+NH4]+ 239.10262 163.1
[M+K]+ 260.03196 150.9
[M+H-H2O]+ 204.06606 140.8
[M+HCOO]- 266.06700 166.9
[M+CH3COO]- 280.08265 187.5
[M+Na-2H]- 242.04347 147.9
[M]+ 221.06825 145.0
[M]- 221.06935 145.0
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