CID 85172

15894-70-9

Structural Information

Molecular Formula

C₁₀H₁₈N₈

SMILES

C(CCCN=C(N)NC#N)CCN=C(N)NC#N

InChI

InChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)

InChIKey

YXZZOMVBHPCKMM-UHFFFAOYSA-N

Compound name

2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 214
Patents: 250.16544 Da
Monoisotopic Mass: -0.5
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]+	251.17272	192.5
[M+Na]+	273.15466	194.8
[M+NH4]+	268.19926	190.7
[M+K]+	289.12860	185.5
[M-H]-	249.15816	182.2
[M+Na-2H]-	271.14011	187.6
[M]+	250.16489	188.1
[M]-	250.16599	188.1

Literature stripe

literature stripe

Patent stripe

patents stripe