CID 7078

N-(2-methoxyphenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(=O)CC(=O)NC1=CC=CC=C1OC
InChI
InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey
KYYRTDXOHQYZPO-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1296
Patents

207.08954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.5
[M+Na]+ 230.078758 151.1
[M-H]- 206.082264 148.2
[M+NH4]+ 225.123363 163.0
[M+K]+ 246.052698 150.0
[M+H-H2O]+ 190.086800 138.1
[M+HCOO]- 252.087741 168.5
[M+CH3COO]- 266.103391 188.8
[M+Na-2H]- 228.064206 148.8
[M]+ 207.08899142 146.3
[M]- 207.09008858 146.3
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