CID 12791689

Hepta-1,6-dien-4-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C=CCC(CC=C)N

InChI

InChI=1S/C7H13N/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6,8H2

InChIKey

NQOGMRGPEFZPDM-UHFFFAOYSA-N

Compound name

hepta-1,6-dien-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1900
Patents: 111.1048 Da
Monoisotopic Mass: 1.6
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]+	112.112076	125.5
[M+Na]+	134.094018	131.9
[M-H]-	110.097524	125.2
[M+NH4]+	129.138623	147.8
[M+K]+	150.067958	130.3
[M+H-H2O]+	94.102060	121.0
[M+HCOO]-	156.103001	148.8
[M+CH3COO]-	170.118651	173.3
[M+Na-2H]-	132.079466	130.0
[M]+	111.10425142	123.3
[M]-	111.10534858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe