CID 3063669

101356-69-8

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCC(CN(C)C)(COC(=O)C)C1=CC=CC=C1
InChI
InChI=1S/C15H23NO2/c1-5-15(11-16(3)4,12-18-13(2)17)14-9-7-6-8-10-14/h6-10H,5,11-12H2,1-4H3
InChIKey
GNTHIUVCFABDFI-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-2-phenylbutyl] acetate
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 161.0
[M+Na]+ 272.16210 165.6
[M-H]- 248.16560 165.3
[M+NH4]+ 267.20670 178.5
[M+K]+ 288.13604 165.0
[M+H-H2O]+ 232.17014 154.1
[M+HCOO]- 294.17108 183.2
[M+CH3COO]- 308.18673 201.4
[M+Na-2H]- 270.14755 165.0
[M]+ 249.17233 164.6
[M]- 249.17343 164.6
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.