CID 11831821

126605-22-9

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCC1=CC=CC(=C1N(C(C)COC)C(=O)C)C
InChI
InChI=1S/C15H23NO2/c1-6-14-9-7-8-11(2)15(14)16(13(4)17)12(3)10-18-5/h7-9,12H,6,10H2,1-5H3
InChIKey
AQQKRTUHCOLVTD-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

249.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.3
[M+Na]+ 272.162098 166.1
[M-H]- 248.165604 165.2
[M+NH4]+ 267.206703 178.3
[M+K]+ 288.136038 165.6
[M+H-H2O]+ 232.170140 153.5
[M+HCOO]- 294.171081 183.1
[M+CH3COO]- 308.186731 204.3
[M+Na-2H]- 270.147546 161.0
[M]+ 249.17233142 164.6
[M]- 249.17342858 164.6
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