CID 16211

N,n-diethylglycine mesityl ester hydrochloride

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]+ 250.18016 159.4
[M+Na]+ 272.16210 166.5
[M-H]- 248.16560 164.7
[M+NH4]+ 267.20670 177.9
[M+K]+ 288.13604 165.5
[M+H-H2O]+ 232.17014 152.8
[M+HCOO]- 294.17108 183.2
[M+CH3COO]- 308.18673 204.6
[M+Na-2H]- 270.14755 160.7
[M]+ 249.17233 164.7
[M]- 249.17343 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.