CID 16201

2014-22-4

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCN(CC)CC(=O)OC1=C(C=CC=C1C)C
InChI
InChI=1S/C14H21NO2/c1-5-15(6-2)10-13(16)17-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3
InChIKey
JZIDHFJJQZOLMU-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.7
[M+Na]+ 258.146448 162.2
[M-H]- 234.149954 160.7
[M+NH4]+ 253.191053 174.3
[M+K]+ 274.120388 161.4
[M+H-H2O]+ 218.154490 148.9
[M+HCOO]- 280.155431 179.8
[M+CH3COO]- 294.171081 200.4
[M+Na-2H]- 256.131896 158.1
[M]+ 235.15668142 160.2
[M]- 235.15777858 160.2
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.