CID 85626

Einecs 240-922-2

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CC(=NCCN=C(C)C)C

InChI

InChI=1S/C8H16N2/c1-7(2)9-5-6-10-8(3)4/h5-6H2,1-4H3

InChIKey

KWAQMTIQRQEKCQ-UHFFFAOYSA-N

Compound name

N-[2-(propan-2-ylideneamino)ethyl]propan-2-imine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 65
Patents: 140.13135 Da
Monoisotopic Mass: -0.1
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]+	141.138626	133.7
[M+Na]+	163.120568	139.5
[M-H]-	139.124074	136.7
[M+NH4]+	158.165173	156.3
[M+K]+	179.094508	140.3
[M+H-H2O]+	123.128610	128.0
[M+HCOO]-	185.129551	160.2
[M+CH3COO]-	199.145201	186.8
[M+Na-2H]-	161.106016	138.6
[M]+	140.13080142	135.1
[M]-	140.13189858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe