CID 3052673

69225-95-2

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)(CN(C)C)COC(=O)C(COC)C1=CC=CC=C1
InChI
InChI=1S/C17H27NO3/c1-17(2,12-18(3)4)13-21-16(19)15(11-20-5)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3
InChIKey
HEXFMMQKWVMMEF-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2,2-dimethylpropyl] 3-methoxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 173.2
[M+Na]+ 316.188318 176.6
[M-H]- 292.191824 177.2
[M+NH4]+ 311.232923 188.8
[M+K]+ 332.162258 176.6
[M+H-H2O]+ 276.196360 165.9
[M+HCOO]- 338.197301 193.9
[M+CH3COO]- 352.212951 210.3
[M+Na-2H]- 314.173766 175.1
[M]+ 293.19855142 178.4
[M]- 293.19964858 178.4
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.