CID 93855

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)
InChIKey
GGGUKEUZOYLABH-UHFFFAOYSA-N
Compound name
2-[(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

27
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 164.2
[M+Na]+ 302.09992 171.4
[M+NH4]+ 297.14452 168.0
[M+K]+ 318.07386 169.1
[M-H]- 278.10342 162.3
[M+Na-2H]- 300.08537 165.7
[M]+ 279.11015 164.0
[M]- 279.11125 164.0
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