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: 646
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]+	114.127726	126.3
[M+Na]+	136.109668	132.6
[M-H]-	112.113174	125.9
[M+NH4]+	131.154273	148.7
[M+K]+	152.083608	131.1
[M+H-H2O]+	96.117710	121.6
[M+HCOO]-	158.118651	150.4
[M+CH3COO]-	172.134301	173.4
[M+Na-2H]-	134.095116	132.1
[M]+	113.11990142	125.4
[M]-	113.12099858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe