CID 50536

Potassium 2-(4-hydroxyphenyl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate

Structural Information

Molecular Formula
C13H15NO5
SMILES
CC(=CC(=O)OC)NC(C1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C13H15NO5/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9/h3-7,12,14-15H,1-2H3,(H,17,18)
InChIKey
VXLHFWHJVCLKPT-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

265.09503 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 159.2
[M+Na]+ 288.08425 163.6
[M-H]- 264.08775 159.8
[M+NH4]+ 283.12885 173.5
[M+K]+ 304.05819 162.1
[M+H-H2O]+ 248.09229 152.7
[M+HCOO]- 310.09323 178.1
[M+CH3COO]- 324.10888 194.7
[M+Na-2H]- 286.06970 159.0
[M]+ 265.09448 158.7
[M]- 265.09558 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe