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]+ 294.20638 173.2
[M+Na]+ 316.18832 176.6
[M-H]- 292.19182 177.2
[M+NH4]+ 311.23292 188.8
[M+K]+ 332.16226 176.6
[M+H-H2O]+ 276.19636 165.9
[M+HCOO]- 338.19730 193.9
[M+CH3COO]- 352.21295 210.3
[M+Na-2H]- 314.17377 175.1
[M]+ 293.19855 178.4
[M]- 293.19965 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.