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: 259
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]+	100.112076	121.5
[M+Na]+	122.094018	128.2
[M-H]-	98.097524	123.5
[M+NH4]+	117.138623	145.5
[M+K]+	138.067958	129.4
[M+H-H2O]+	82.102060	117.0
[M+HCOO]-	144.103001	146.1
[M+CH3COO]-	158.118651	174.8
[M+Na-2H]-	120.079466	127.0
[M]+	99.10425142	121.9
[M]-	99.10534858	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe