CID 16207

2014-27-9

Structural Information

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.