CID 3264451

Heptanimidamide hydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CCCCCCC(=N)N

InChI

InChI=1S/C7H16N2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H3,8,9)

InChIKey

KLBRPIROFDXFMB-UHFFFAOYSA-N

Compound name

heptanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 128.13135 Da
Monoisotopic Mass: 1.7
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]+	129.138626	131.1
[M+Na]+	151.120568	136.2
[M-H]-	127.124074	130.7
[M+NH4]+	146.165173	152.4
[M+K]+	167.094508	135.2
[M+H-H2O]+	111.128610	125.8
[M+HCOO]-	173.129551	155.1
[M+CH3COO]-	187.145201	179.1
[M+Na-2H]-	149.106016	135.7
[M]+	128.13080142	128.7
[M]-	128.13189858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe