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]+ 278.211476 167.9
[M+Na]+ 300.193418 175.0
[M-H]- 276.196924 173.1
[M+NH4]+ 295.238023 185.5
[M+K]+ 316.167358 173.6
[M+H-H2O]+ 260.201460 161.1
[M+HCOO]- 322.202401 190.9
[M+CH3COO]- 336.218051 211.9
[M+Na-2H]- 298.178866 167.4
[M]+ 277.20365142 174.3
[M]- 277.20474858 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.