CID 48101

N-ethyl-n-(3-phenoxypropyl)acetamide

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCN(CCCOC1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C13H19NO2/c1-3-14(12(2)15)10-7-11-16-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKey
WBTARABKROETNY-UHFFFAOYSA-N
Compound name
N-ethyl-N-(3-phenoxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.5
[M+Na]+ 244.13081 157.5
[M-H]- 220.13431 156.9
[M+NH4]+ 239.17541 171.1
[M+K]+ 260.10475 156.9
[M+H-H2O]+ 204.13885 145.3
[M+HCOO]- 266.13979 177.0
[M+CH3COO]- 280.15544 195.1
[M+Na-2H]- 242.11626 156.8
[M]+ 221.14104 155.8
[M]- 221.14214 155.8
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

No patent data available for this compound.