CID 61053

N-(4-ethoxyphenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC(=O)C
InChI
InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKey
WWROGCAUSKGAMX-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

156
Patents

221.1052 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.2
[M+Na]+ 244.094418 155.3
[M-H]- 220.097924 152.7
[M+NH4]+ 239.139023 167.2
[M+K]+ 260.068358 154.0
[M+H-H2O]+ 204.102460 142.6
[M+HCOO]- 266.103401 172.9
[M+CH3COO]- 280.119051 191.8
[M+Na-2H]- 242.079866 152.9
[M]+ 221.10465142 151.4
[M]- 221.10574858 151.4
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