CID 134738081

Dtxsid10891582

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC1=C(C(=CC=C1)C)OCC(C)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C15H19NO4/c1-10-5-4-6-11(2)15(10)20-9-12(3)16-13(17)7-8-14(18)19/h4-8,12H,9H2,1-3H3,(H,16,17)(H,18,19)/b8-7+
InChIKey
IHYIZOZHEMEBGX-BQYQJAHWSA-N
Compound name
(E)-4-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 164.6
[M+Na]+ 300.120618 170.0
[M-H]- 276.124124 166.6
[M+NH4]+ 295.165223 179.7
[M+K]+ 316.094558 167.7
[M+H-H2O]+ 260.128660 157.9
[M+HCOO]- 322.129601 185.2
[M+CH3COO]- 336.145251 201.2
[M+Na-2H]- 298.106066 164.4
[M]+ 277.13085142 166.4
[M]- 277.13194858 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.