CID 5912411

2-[3-(4-methoxyphenyl)prop-2-enamido]propanoic acid

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC(C(=O)O)NC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H15NO4/c1-9(13(16)17)14-12(15)8-5-10-3-6-11(18-2)7-4-10/h3-9H,1-2H3,(H,14,15)(H,16,17)/b8-5+
InChIKey
WUVZUPQRHXCIKE-VMPITWQZSA-N
Compound name
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.10011 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 156.1
[M+Na]+ 272.089328 161.4
[M-H]- 248.092834 158.1
[M+NH4]+ 267.133933 172.0
[M+K]+ 288.063268 159.5
[M+H-H2O]+ 232.097370 149.5
[M+HCOO]- 294.098311 177.4
[M+CH3COO]- 308.113961 193.9
[M+Na-2H]- 270.074776 157.6
[M]+ 249.09956142 156.8
[M]- 249.10065858 156.8
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

patents stripe