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 180.9
[M+Na]+ 328.22469 182.6
[M-H]- 304.22819 184.3
[M+NH4]+ 323.26929 195.7
[M+K]+ 344.19863 182.0
[M+H-H2O]+ 288.23273 173.0
[M+HCOO]- 350.23367 200.2
[M+CH3COO]- 364.24932 215.6
[M+Na-2H]- 326.21014 178.2
[M]+ 305.23492 184.5
[M]- 305.23602 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.