CID 6912894

Einecs 261-027-3

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]+ 280.11798 163.8
[M+Na]+ 302.09992 167.8
[M-H]- 278.10342 164.2
[M+NH4]+ 297.14452 177.5
[M+K]+ 318.07386 166.1
[M+H-H2O]+ 262.10796 157.1
[M+HCOO]- 324.10890 182.3
[M+CH3COO]- 338.12455 197.7
[M+Na-2H]- 300.08537 163.1
[M]+ 279.11015 163.7
[M]- 279.11125 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.