CID 3267347

88074-66-2

Structural Information

Molecular Formula
C17H35NO2
SMILES
CCCCCCCCCCCCNCCC(=O)OCC
InChI
InChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20-4-2/h18H,3-16H2,1-2H3
InChIKey
YDLAWDGMGXNINT-UHFFFAOYSA-N
Compound name
ethyl 3-(dodecylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

285.26678 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.27406 178.3
[M+Na]+ 308.25600 180.2
[M-H]- 284.25950 176.5
[M+NH4]+ 303.30060 193.9
[M+K]+ 324.22994 177.8
[M+H-H2O]+ 268.26404 171.2
[M+HCOO]- 330.26498 199.2
[M+CH3COO]- 344.28063 208.3
[M+Na-2H]- 306.24145 178.4
[M]+ 285.26623 184.4
[M]- 285.26733 184.4
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.