CID 699640

2-acetamido-3-phenylacrylic acid

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
1
Annotation Hits

3
References

549
Patents

205.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 145.7
[M+Na]+ 228.06312 155.1
[M+NH4]+ 223.10772 151.7
[M+K]+ 244.03706 150.9
[M-H]- 204.06662 145.7
[M+Na-2H]- 226.04857 150.1
[M]+ 205.07335 146.5
[M]- 205.07445 146.5
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