CID 533877

5-hexen-1-amine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

C=CCCCCN

InChI

InChI=1S/C6H13N/c1-2-3-4-5-6-7/h2H,1,3-7H2

InChIKey

FICBXRYQMBKLJJ-UHFFFAOYSA-N

Compound name

hex-5-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1327
Patents: 99.1048 Da
Monoisotopic Mass: 1.1
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]+	100.11208	121.7
[M+Na]+	122.09402	128.4
[M-H]-	98.097524	121.5
[M+NH4]+	117.13862	144.6
[M+K]+	138.06796	127.3
[M+H-H2O]+	82.102060	117.2
[M+HCOO]-	144.10300	146.1
[M+CH3COO]-	158.11865	170.4
[M+Na-2H]-	120.07947	128.1
[M]+	99.104251	120.5
[M]-	99.105349	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.