CID 202050

Hex-5-en-2-amine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(CCC=C)N

InChI

InChI=1S/C6H13N/c1-3-4-5-6(2)7/h3,6H,1,4-5,7H2,2H3

InChIKey

PBEJOEYAKXHDJT-UHFFFAOYSA-N

Compound name

hex-5-en-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 183
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]+	100.11208	122.5
[M+Na]+	122.09402	128.9
[M-H]-	98.097524	122.3
[M+NH4]+	117.13862	145.3
[M+K]+	138.06796	128.2
[M+H-H2O]+	82.102060	118.0
[M+HCOO]-	144.10300	145.8
[M+CH3COO]-	158.11865	171.2
[M+Na-2H]-	120.07947	127.5
[M]+	99.104251	120.5
[M]-	99.105349	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe