CID 5011881

N-butyl-2-phenoxyacetamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCCNC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-2-3-9-13-12(14)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChIKey
BDZRCGPKMDTAFT-UHFFFAOYSA-N
Compound name
N-butyl-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.7
[M+Na]+ 230.115148 153.0
[M-H]- 206.118654 150.7
[M+NH4]+ 225.159753 166.2
[M+K]+ 246.089088 151.2
[M+H-H2O]+ 190.123190 140.9
[M+HCOO]- 252.124131 172.0
[M+CH3COO]- 266.139781 188.5
[M+Na-2H]- 228.100596 153.3
[M]+ 207.12538142 149.4
[M]- 207.12647858 149.4
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

patents stripe