CID 10827448

3,3'-(dodecylazanediyl)dipropanenitrile

Structural Information

Molecular Formula

C₁₈H₃₃N₃

SMILES

CCCCCCCCCCCCN(CCC#N)CCC#N

InChI

InChI=1S/C18H33N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-13,16-18H2,1H3

InChIKey

YDOOYJZNFQGRCN-UHFFFAOYSA-N

Compound name

3-[2-cyanoethyl(dodecyl)amino]propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 291.26746 Da
Monoisotopic Mass: 5.2
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]+	292.27474	189.7
[M+Na]+	314.25668	195.5
[M+NH4]+	309.30128	189.3
[M+K]+	330.23062	183.8
[M-H]-	290.26018	179.0
[M+Na-2H]-	312.24213	186.3
[M]+	291.26691	186.1
[M]-	291.26801	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe