CID 6436427

Einecs 239-864-0

Structural Information

Molecular Formula
C14H17NO5
SMILES
C1=CC=C(C=C1)N(CCO)CCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C14H17NO5/c16-10-8-15(12-4-2-1-3-5-12)9-11-20-14(19)7-6-13(17)18/h1-7,16H,8-11H2,(H,17,18)/b7-6-
InChIKey
PTTYCKUPSLRLBP-SREVYHEPSA-N
Compound name
(Z)-4-[2-[N-(2-hydroxyethyl)anilino]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 163.8
[M+Na]+ 302.099918 167.5
[M-H]- 278.103424 165.1
[M+NH4]+ 297.144523 178.0
[M+K]+ 318.073858 166.0
[M+H-H2O]+ 262.107960 156.4
[M+HCOO]- 324.108901 184.9
[M+CH3COO]- 338.124551 197.8
[M+Na-2H]- 300.085366 165.5
[M]+ 279.11015142 165.8
[M]- 279.11124858 165.8
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.