CID 15615

3-(dimethylamino)propanenitrile

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CN(C)CCC#N

InChI

InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3

InChIKey

MTPJEFOSTIKRSS-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 2895
Patents: 98.0844 Da
Monoisotopic Mass: 0.0
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]+	99.091676	121.4
[M+Na]+	121.07362	131.5
[M+NH4]+	116.11822	126.8
[M+K]+	137.04756	123.1
[M-H]-	97.077124	115.3
[M+Na-2H]-	119.05907	124.3
[M]+	98.083851	120.2
[M]-	98.084949	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe