CID 520711

35000-22-7

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)NCC=C

InChI

InChI=1S/C6H13N/c1-4-5-7-6(2)3/h4,6-7H,1,5H2,2-3H3

InChIKey

OWUBKHTYXCOYMM-UHFFFAOYSA-N

Compound name

N-prop-2-enylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 373
Patents: 99.1048 Da
Monoisotopic Mass: 1.2
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]+	100.112076	122.0
[M+Na]+	122.094018	128.4
[M-H]-	98.097524	122.3
[M+NH4]+	117.138623	145.1
[M+K]+	138.067958	128.1
[M+H-H2O]+	82.102060	117.5
[M+HCOO]-	144.103001	145.9
[M+CH3COO]-	158.118651	171.9
[M+Na-2H]-	120.079466	128.1
[M]+	99.10425142	121.0
[M]-	99.10534858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe