CID 12878168

Hept-6-en-1-amine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

C=CCCCCCN

InChI

InChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h2H,1,3-8H2

InChIKey

PDSKWUZFFRWRCD-UHFFFAOYSA-N

Compound name

hept-6-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 564
Patents: 113.12045 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]+	114.12773	125.6
[M+Na]+	136.10967	135.4
[M+NH4]+	131.15427	133.9
[M+K]+	152.08361	128.8
[M-H]-	112.11317	126.1
[M+Na-2H]-	134.09512	129.7
[M]+	113.11990	126.8
[M]-	113.12100	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe