CID 6857960

Ns00004719

Structural Information

Molecular Formula
C13H15NO5
SMILES
C/C(=C/C(=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)/b8-7-
InChIKey
VXLHFWHJVCLKPT-FPLPWBNLSA-N
Compound name
2-(4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

85
Patents

265.09503 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.102306 159.2
[M+Na]+ 288.084248 163.6
[M-H]- 264.087754 159.8
[M+NH4]+ 283.128853 173.5
[M+K]+ 304.058188 162.1
[M+H-H2O]+ 248.092290 152.7
[M+HCOO]- 310.093231 178.1
[M+CH3COO]- 324.108881 194.7
[M+Na-2H]- 286.069696 159.0
[M]+ 265.09448142 158.7
[M]- 265.09557858 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

No patent data available for this compound.