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]+ 329.27986 189.3
[M+Na]+ 351.26180 190.2
[M-H]- 327.26530 188.9
[M+NH4]+ 346.30640 203.4
[M+K]+ 367.23574 189.5
[M+H-H2O]+ 311.26984 181.3
[M+HCOO]- 373.27078 210.8
[M+CH3COO]- 387.28643 220.3
[M+Na-2H]- 349.24725 187.2
[M]+ 328.27203 196.1
[M]- 328.27313 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.