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]+ 250.18016 162.2
[M+Na]+ 272.16210 166.1
[M-H]- 248.16560 166.2
[M+NH4]+ 267.20670 179.5
[M+K]+ 288.13604 165.5
[M+H-H2O]+ 232.17014 154.7
[M+HCOO]- 294.17108 185.0
[M+CH3COO]- 308.18673 201.9
[M+Na-2H]- 270.14755 164.1
[M]+ 249.17233 165.6
[M]- 249.17343 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.