CID 131699354

92726-29-9

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCOC(=O)C(CCN(C)C)CC1=CC=CC=C1
InChI
InChI=1S/C15H23NO2/c1-4-18-15(17)14(10-11-16(2)3)12-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKey
LVGYZCJPDTZCNY-UHFFFAOYSA-N
Compound name
ethyl 2-benzyl-4-(dimethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 162.2
[M+Na]+ 272.162098 166.1
[M-H]- 248.165604 166.2
[M+NH4]+ 267.206703 179.5
[M+K]+ 288.136038 165.5
[M+H-H2O]+ 232.170140 154.7
[M+HCOO]- 294.171081 185.0
[M+CH3COO]- 308.186731 201.9
[M+Na-2H]- 270.147546 164.1
[M]+ 249.17233142 165.6
[M]- 249.17342858 165.6
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

No patent data available for this compound.