CID 295615

68280-85-3

Structural Information

Molecular Formula
C12H13NO4
SMILES
CC(=O)NC(=CC1=CC=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C12H13NO4/c1-8(14)13-11(12(15)16)7-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKey
NPEYOJSWXAGTJW-UHFFFAOYSA-N
Compound name
2-acetamido-3-(4-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

235.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.5
[M+Na]+ 258.07368 157.2
[M-H]- 234.07718 153.7
[M+NH4]+ 253.11828 168.0
[M+K]+ 274.04762 155.5
[M+H-H2O]+ 218.08172 145.1
[M+HCOO]- 280.08266 173.1
[M+CH3COO]- 294.09831 190.9
[M+Na-2H]- 256.05913 153.5
[M]+ 235.08391 151.8
[M]- 235.08501 151.8
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

patents stripe