CID 5038906

N-[2-(2,6-dimethylphenoxy)ethyl]acetamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1=C(C(=CC=C1)C)OCCNC(=O)C
InChI
InChI=1S/C12H17NO2/c1-9-5-4-6-10(2)12(9)15-8-7-13-11(3)14/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKey
GTHYRTXTLKSMRH-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.7
[M+Na]+ 230.115148 153.9
[M-H]- 206.118654 150.6
[M+NH4]+ 225.159753 165.9
[M+K]+ 246.089088 152.2
[M+H-H2O]+ 190.123190 140.5
[M+HCOO]- 252.124131 171.0
[M+CH3COO]- 266.139781 190.9
[M+Na-2H]- 228.100596 151.0
[M]+ 207.12538142 149.2
[M]- 207.12647858 149.2
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

No patent data available for this compound.