CID 141219

Diisobutylaminoacetonitrile

Structural Information

Molecular Formula

C₁₀H₂₀N₂

SMILES

CC(C)CN(CC#N)CC(C)C

InChI

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

InChIKey

ADEQPGWHCPALGB-UHFFFAOYSA-N

Compound name

2-[bis(2-methylpropyl)amino]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 55
Patents: 168.16264 Da
Monoisotopic Mass: 2.7
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	141.7
[M+Na]+	191.15186	150.2
[M+NH4]+	186.19646	146.1
[M+K]+	207.12580	142.2
[M-H]-	167.15536	135.0
[M+Na-2H]-	189.13731	142.7
[M]+	168.16209	140.0
[M]-	168.16319	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe