CID 347083

2-(dimethylamino)ethyl dodecanoate

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCCCCCCC(=O)OCCN(C)C
InChI
InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17(2)3/h4-15H2,1-3H3
InChIKey
JMLUDYXDXUBOTH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

271.25113 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.258406 174.4
[M+Na]+ 294.240348 176.9
[M-H]- 270.243854 174.4
[M+NH4]+ 289.284953 191.3
[M+K]+ 310.214288 176.2
[M+H-H2O]+ 254.248390 167.4
[M+HCOO]- 316.249331 196.1
[M+CH3COO]- 330.264981 208.8
[M+Na-2H]- 292.225796 174.3
[M]+ 271.25058142 181.5
[M]- 271.25167858 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe