CID 208373

32058-57-4

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCN(CC)CCCOC(=O)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C16H33NO2/c1-8-17(9-2)11-10-12-19-14(18)16(6,7)13-15(3,4)5/h8-13H2,1-7H3
InChIKey
QUPIZGOGLWPLOG-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.25113 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.258406 171.8
[M+Na]+ 294.240348 175.5
[M-H]- 270.243854 172.6
[M+NH4]+ 289.284953 189.2
[M+K]+ 310.214288 175.7
[M+H-H2O]+ 254.248390 166.5
[M+HCOO]- 316.249331 190.6
[M+CH3COO]- 330.264981 208.9
[M+Na-2H]- 292.225796 173.7
[M]+ 271.25058142 177.9
[M]- 271.25167858 177.9
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.