CID 3014704

C 4150

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]+ 306.24275 178.3
[M+Na]+ 328.22469 186.8
[M+NH4]+ 323.26929 184.6
[M+K]+ 344.19863 181.5
[M-H]- 304.22819 179.7
[M+Na-2H]- 326.21014 181.9
[M]+ 305.23492 179.6
[M]- 305.23602 179.6
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.