CID 3014704

Dtxsid40925884

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)N(CC)CC
InChI
InChI=1S/C19H31NO2/c1-6-15(4)18(17-12-10-9-11-13-17)19(21)22-14-16(5)20(7-2)8-3/h9-13,15-16,18H,6-8,14H2,1-5H3
InChIKey
WBXLALPUFXKNGK-UHFFFAOYSA-N
Compound name
2-(diethylamino)propyl 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 180.9
[M+Na]+ 328.224688 182.6
[M-H]- 304.228194 184.3
[M+NH4]+ 323.269293 195.7
[M+K]+ 344.198628 182.0
[M+H-H2O]+ 288.232730 173.0
[M+HCOO]- 350.233671 200.2
[M+CH3COO]- 364.249321 215.6
[M+Na-2H]- 326.210136 178.2
[M]+ 305.23492142 184.5
[M]- 305.23601858 184.5
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.