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: 1030
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]+	112.11208	125.6
[M+Na]+	134.09402	135.2
[M+NH4]+	129.13862	133.5
[M+K]+	150.06796	129.2
[M-H]-	110.09752	125.6
[M+Na-2H]-	132.07947	129.1
[M]+	111.10425	126.6
[M]-	111.10535	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe