CID 56478

92726-06-2

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC(=C1C)C
InChI
InChI=1S/C15H23NO2/c1-5-16(6-2)10-11-18-15(17)14-9-7-8-12(3)13(14)4/h7-9H,5-6,10-11H2,1-4H3
InChIKey
XHSXNDJTJHNCIB-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,3-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.4
[M+Na]+ 272.162098 166.5
[M-H]- 248.165604 165.2
[M+NH4]+ 267.206703 178.5
[M+K]+ 288.136038 165.4
[M+H-H2O]+ 232.170140 153.4
[M+HCOO]- 294.171081 184.2
[M+CH3COO]- 308.186731 203.4
[M+Na-2H]- 270.147546 162.3
[M]+ 249.17233142 165.3
[M]- 249.17342858 165.3
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.