CID 6433887

Brn 2662159

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCCOC1=C(C=C(C=C1)/C=C/C(=O)NO)OC
InChI
InChI=1S/C13H17NO4/c1-3-8-18-11-6-4-10(9-12(11)17-2)5-7-13(15)14-16/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)/b7-5+
InChIKey
WABYFRDCKCYZAZ-FNORWQNLSA-N
Compound name
(E)-N-hydroxy-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.5
[M+Na]+ 274.10497 162.9
[M-H]- 250.10847 158.7
[M+NH4]+ 269.14957 172.8
[M+K]+ 290.07891 160.6
[M+H-H2O]+ 234.11301 149.8
[M+HCOO]- 296.11395 179.5
[M+CH3COO]- 310.12960 194.1
[M+Na-2H]- 272.09042 159.7
[M]+ 251.11520 159.5
[M]- 251.11630 159.5
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.