CID 36050

38370-70-6

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCC(C)(CC)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C16H33NO2/c1-6-10-12-16(5,7-2)15(18)19-14-11-13-17(8-3)9-4/h6-14H2,1-5H3
InChIKey
ZBXXNADTECFOSF-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 2-ethyl-2-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.25113 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.25841 173.6
[M+Na]+ 294.24035 176.6
[M-H]- 270.24385 173.9
[M+NH4]+ 289.28495 190.7
[M+K]+ 310.21429 176.3
[M+H-H2O]+ 254.24839 167.3
[M+HCOO]- 316.24933 193.8
[M+CH3COO]- 330.26498 209.2
[M+Na-2H]- 292.22580 174.3
[M]+ 271.25058 180.2
[M]- 271.25168 180.2
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.