CID 24847636

95368-23-3

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)(C)CN(C)C
InChI
InChI=1S/C19H31NO2/c1-7-15(2)17(16-11-9-8-10-12-16)18(21)22-14-19(3,4)13-20(5)6/h8-12,15,17H,7,13-14H2,1-6H3
InChIKey
OEDOPLURDWQFDO-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2,2-dimethylpropyl] 3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.242746 178.8
[M+Na]+ 328.224688 181.3
[M-H]- 304.228194 182.5
[M+NH4]+ 323.269293 194.0
[M+K]+ 344.198628 180.7
[M+H-H2O]+ 288.232730 171.5
[M+HCOO]- 350.233671 197.7
[M+CH3COO]- 364.249321 215.1
[M+Na-2H]- 326.210136 178.4
[M]+ 305.23492142 182.7
[M]- 305.23601858 182.7
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.