CID 56698

2-diethylaminoethyl 2,3,5,6-tetramethylbenzoate hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCN(CC)CCOC(=O)C1=C(C(=CC(=C1C)C)C)C
InChI
InChI=1S/C17H27NO2/c1-7-18(8-2)9-10-20-17(19)16-14(5)12(3)11-13(4)15(16)6/h11H,7-10H2,1-6H3
InChIKey
AXRBDAFZVYQPLS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,3,5,6-tetramethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 167.9
[M+Na]+ 300.19342 175.0
[M-H]- 276.19692 173.1
[M+NH4]+ 295.23802 185.5
[M+K]+ 316.16736 173.6
[M+H-H2O]+ 260.20146 161.1
[M+HCOO]- 322.20240 190.9
[M+CH3COO]- 336.21805 211.9
[M+Na-2H]- 298.17887 167.4
[M]+ 277.20365 174.3
[M]- 277.20475 174.3
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.