CID 79731

N-amidinooctanamide

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CCCCCCCC(=O)N=C(N)N

InChI

InChI=1S/C9H19N3O/c1-2-3-4-5-6-7-8(13)12-9(10)11/h2-7H2,1H3,(H4,10,11,12,13)

InChIKey

ZHCWNUYIITXNFR-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.15282 Da
Monoisotopic Mass: 2.2
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]+	186.160096	146.2
[M+Na]+	208.142038	150.3
[M-H]-	184.145544	146.4
[M+NH4]+	203.186643	165.2
[M+K]+	224.115978	149.6
[M+H-H2O]+	168.150080	139.6
[M+HCOO]-	230.151021	170.9
[M+CH3COO]-	244.166671	192.9
[M+Na-2H]-	206.127486	148.1
[M]+	185.15227142	144.5
[M]-	185.15336858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe