CID 44152639

94139-08-9

Structural Information

Molecular Formula
C18H36N2O3
SMILES
CCCCCCCCCCCC(=O)N(CCNCC)OC(=O)C
InChI
InChI=1S/C18H36N2O3/c1-4-6-7-8-9-10-11-12-13-14-18(22)20(23-17(3)21)16-15-19-5-2/h19H,4-16H2,1-3H3
InChIKey
NIUGYHQDYQOXGV-UHFFFAOYSA-N
Compound name
[dodecanoyl-[2-(ethylamino)ethyl]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.27258 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.279856 189.3
[M+Na]+ 351.261798 190.2
[M-H]- 327.265304 188.9
[M+NH4]+ 346.306403 203.4
[M+K]+ 367.235738 189.5
[M+H-H2O]+ 311.269840 181.3
[M+HCOO]- 373.270781 210.8
[M+CH3COO]- 387.286431 220.3
[M+Na-2H]- 349.247246 187.2
[M]+ 328.27203142 196.1
[M]- 328.27312858 196.1
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.