CID 85626

16888-75-8

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

1
Annotation Hits: 0
References: 61
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]+	141.13863	134.1
[M+Na]+	163.12057	143.3
[M+NH4]+	158.16517	142.1
[M+K]+	179.09451	137.4
[M-H]-	139.12407	135.4
[M+Na-2H]-	161.10602	138.3
[M]+	140.13080	135.5
[M]-	140.13190	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe