CID 137892

3332-08-9

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)N=C(C)C

InChI

InChI=1S/C6H13N/c1-5(2)7-6(3)4/h5H,1-4H3

InChIKey

UCJOAMOXKLJGST-UHFFFAOYSA-N

Compound name

N-propan-2-ylpropan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 99.1048 Da
Monoisotopic Mass: 0.8
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]+	100.11208	122.0
[M+Na]+	122.09402	132.2
[M+NH4]+	117.13862	130.8
[M+K]+	138.06796	126.9
[M-H]-	98.097524	122.9
[M+Na-2H]-	120.07947	126.6
[M]+	99.104251	123.5
[M]-	99.105349	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe