CID 573950

86375-28-2

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

CC(C)(C)CC(C)(C)NCCC#N

InChI

InChI=1S/C11H22N2/c1-10(2,3)9-11(4,5)13-8-6-7-12/h13H,6,8-9H2,1-5H3

InChIKey

NJRROXHFUFARLU-UHFFFAOYSA-N

Compound name

3-(2,4,4-trimethylpentan-2-ylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.1783 Da
Monoisotopic Mass: 2.2
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]+	183.18558	148.6
[M+Na]+	205.16752	155.6
[M-H]-	181.17102	149.3
[M+NH4]+	200.21212	166.8
[M+K]+	221.14146	155.1
[M+H-H2O]+	165.17556	137.7
[M+HCOO]-	227.17650	165.6
[M+CH3COO]-	241.19215	200.1
[M+Na-2H]-	203.15297	154.0
[M]+	182.17775	144.8
[M]-	182.17885	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe