CID 2789933

2-(2,4-dimethylphenoxy)-n-(oxolan-2-ylmethyl)acetamide

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=CC(=C(C=C1)OCC(=O)NCC2CCCO2)C
InChI
InChI=1S/C15H21NO3/c1-11-5-6-14(12(2)8-11)19-10-15(17)16-9-13-4-3-7-18-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKey
VGRFBLCYWKSPSO-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.4
[M+Na]+ 286.141348 167.4
[M-H]- 262.144854 169.3
[M+NH4]+ 281.185953 179.1
[M+K]+ 302.115288 166.2
[M+H-H2O]+ 246.149390 155.4
[M+HCOO]- 308.150331 184.3
[M+CH3COO]- 322.165981 198.3
[M+Na-2H]- 284.126796 164.2
[M]+ 263.15158142 163.3
[M]- 263.15267858 163.3
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.