CID 699640

5469-45-4

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)O
InChI
InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7+
InChIKey
XODAOBAZOQSFDS-JXMROGBWSA-N
Compound name
(E)-2-acetamido-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

580
Patents

205.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 144.8
[M+Na]+ 228.063118 150.1
[M-H]- 204.066624 146.8
[M+NH4]+ 223.107723 162.3
[M+K]+ 244.037058 148.1
[M+H-H2O]+ 188.071160 138.6
[M+HCOO]- 250.072101 166.5
[M+CH3COO]- 264.087751 184.4
[M+Na-2H]- 226.048566 148.0
[M]+ 205.07335142 142.9
[M]- 205.07444858 142.9
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