CID 5889186

2-acetyl-3-(4-hydroxylphenyl)-acrylicacid

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC(=O)N/C(=C/C1=CC=C(C=C1)O)/C(=O)O
InChI
InChI=1S/C11H11NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-6,14H,1H3,(H,12,13)(H,15,16)/b10-6+
InChIKey
RNFZUWVUKNMVLO-UXBLZVDNSA-N
Compound name
(E)-2-acetamido-3-(4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 147.5
[M+Na]+ 244.05802 153.2
[M-H]- 220.06152 148.4
[M+NH4]+ 239.10262 163.8
[M+K]+ 260.03196 150.9
[M+H-H2O]+ 204.06606 141.5
[M+HCOO]- 266.06700 167.9
[M+CH3COO]- 280.08265 185.5
[M+Na-2H]- 242.04347 149.5
[M]+ 221.06825 145.5
[M]- 221.06935 145.5
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

patents stripe