CID 21422510

Chembl228958

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC(=O)N/C=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C10H11NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-7,13H,1H3,(H,11,12)/b7-6+
InChIKey
VEIFCFFRYAANFV-VOTSOKGWSA-N
Compound name
N-[(E)-2-(4-hydroxyphenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

177.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.5
[M+Na]+ 200.06820 144.5
[M-H]- 176.07170 139.9
[M+NH4]+ 195.11280 156.8
[M+K]+ 216.04214 141.7
[M+H-H2O]+ 160.07624 131.7
[M+HCOO]- 222.07718 161.1
[M+CH3COO]- 236.09283 179.5
[M+Na-2H]- 198.05365 143.0
[M]+ 177.07843 136.1
[M]- 177.07953 136.1
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