CID 6912894

57938-86-0

Structural Information

Molecular Formula
C14H17NO5
SMILES
CCOC(=O)/C=C(/C)\NC(C1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C14H17NO5/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10/h4-8,13,15-16H,3H2,1-2H3,(H,18,19)/b9-8-
InChIKey
GGGUKEUZOYLABH-HJWRWDBZSA-N
Compound name
2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 163.8
[M+Na]+ 302.099918 167.8
[M-H]- 278.103424 164.2
[M+NH4]+ 297.144523 177.5
[M+K]+ 318.073858 166.1
[M+H-H2O]+ 262.107960 157.1
[M+HCOO]- 324.108901 182.3
[M+CH3COO]- 338.124551 197.7
[M+Na-2H]- 300.085366 163.1
[M]+ 279.11015142 163.7
[M]- 279.11124858 163.7
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.