CID 16026

Butyric acid, 2-(diethylamino)-, 2,6-dimethoxyphenyl ester, hydrochloride

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCC(C(=O)OC1=C(C=CC=C1OC)OC)N(CC)CC
InChI
InChI=1S/C16H25NO4/c1-6-12(17(7-2)8-3)16(18)21-15-13(19-4)10-9-11-14(15)20-5/h9-12H,6-8H2,1-5H3
InChIKey
LZHDLUQYWJYIKI-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) 2-(diethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

295.17834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 171.1
[M+Na]+ 318.167558 176.2
[M-H]- 294.171064 175.7
[M+NH4]+ 313.212163 187.0
[M+K]+ 334.141498 176.7
[M+H-H2O]+ 278.175600 163.5
[M+HCOO]- 340.176541 193.9
[M+CH3COO]- 354.192191 211.4
[M+Na-2H]- 316.153006 171.3
[M]+ 295.17779142 178.6
[M]- 295.17888858 178.6
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

patents stripe