CID 23280

Dodicin

Structural Information

Molecular Formula

C₁₈H₃₉N₃O₂

SMILES

CCCCCCCCCCCCNCCNCCNCC(=O)O

InChI

InChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23)

InChIKey

FSKNXCHJIFBRBT-UHFFFAOYSA-N

Compound name

2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 18
References: 7129
Patents: 329.30423 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.31151	186.7
[M+Na]+	352.29345	185.7
[M-H]-	328.29695	183.0
[M+NH4]+	347.33805	198.8
[M+K]+	368.26739	182.4
[M+H-H2O]+	312.30149	178.3
[M+HCOO]-	374.30243	207.7
[M+CH3COO]-	388.31808	219.6
[M+Na-2H]-	350.27890	186.6
[M]+	329.30368	189.6
[M]-	329.30478	189.6

Literature stripe

literature stripe

Patent stripe

patents stripe