CID 16211

2014-32-6

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCN(CC)CC(=O)OC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C15H23NO2/c1-6-16(7-2)10-14(17)18-15-12(4)8-11(3)9-13(15)5/h8-9H,6-7,10H2,1-5H3
InChIKey
MGVDOIXOFVYHPL-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl) 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 159.4
[M+Na]+ 272.162098 166.5
[M-H]- 248.165604 164.7
[M+NH4]+ 267.206703 177.9
[M+K]+ 288.136038 165.5
[M+H-H2O]+ 232.170140 152.8
[M+HCOO]- 294.171081 183.2
[M+CH3COO]- 308.186731 204.6
[M+Na-2H]- 270.147546 160.7
[M]+ 249.17233142 164.7
[M]- 249.17342858 164.7
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.