CID 83775

4-diisopropylaminobutyronitrile

Structural Information

Molecular Formula

C₁₀H₂₀N₂

SMILES

CC(C)N(CCCC#N)C(C)C

InChI

InChI=1S/C10H20N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-6,8H2,1-4H3

InChIKey

SWVUWKUFMMUEDC-UHFFFAOYSA-N

Compound name

4-[di(propan-2-yl)amino]butanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 168.16264 Da
Monoisotopic Mass: 1.9
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]+	169.16992	141.0
[M+Na]+	191.15186	147.4
[M-H]-	167.15536	142.6
[M+NH4]+	186.19646	159.9
[M+K]+	207.12580	148.0
[M+H-H2O]+	151.15990	128.9
[M+HCOO]-	213.16084	159.7
[M+CH3COO]-	227.17649	202.0
[M+Na-2H]-	189.13731	143.1
[M]+	168.16209	137.8
[M]-	168.16319	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe