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]+ 272.258406 173.6
[M+Na]+ 294.240348 176.6
[M-H]- 270.243854 173.9
[M+NH4]+ 289.284953 190.7
[M+K]+ 310.214288 176.3
[M+H-H2O]+ 254.248390 167.3
[M+HCOO]- 316.249331 193.8
[M+CH3COO]- 330.264981 209.2
[M+Na-2H]- 292.225796 174.3
[M]+ 271.25058142 180.2
[M]- 271.25167858 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.