CID 4069606

N-(3-methoxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC=CC(=C1)NC(=O)C=C
InChI
InChI=1S/C10H11NO2/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h3-7H,1H2,2H3,(H,11,12)
InChIKey
YDKJSAXEBRKYLM-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

386
Patents

177.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.5
[M+Na]+ 200.068198 143.9
[M-H]- 176.071704 140.4
[M+NH4]+ 195.112803 156.5
[M+K]+ 216.042138 142.1
[M+H-H2O]+ 160.076240 130.5
[M+HCOO]- 222.077181 161.7
[M+CH3COO]- 236.092831 182.7
[M+Na-2H]- 198.053646 142.6
[M]+ 177.07843142 137.2
[M]- 177.07952858 137.2
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