CID 78499

3-(dodecylamino)propiononitrile

Structural Information

Molecular Formula

C₁₅H₃₀N₂

SMILES

CCCCCCCCCCCCNCCC#N

InChI

InChI=1S/C15H30N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-12,14-15H2,1H3

InChIKey

DKRQDOPNZFOLQD-UHFFFAOYSA-N

Compound name

3-(dodecylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 238.2409 Da
Monoisotopic Mass: 5.1
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]+	239.24818	156.7
[M+Na]+	261.23012	161.6
[M-H]-	237.23362	156.1
[M+NH4]+	256.27472	172.7
[M+K]+	277.20406	159.0
[M+H-H2O]+	221.23816	144.0
[M+HCOO]-	283.23910	175.4
[M+CH3COO]-	297.25475	210.8
[M+Na-2H]-	259.21557	159.9
[M]+	238.24035	155.5
[M]-	238.24145	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe