CID 66977

Synthalin

Structural Information

Molecular Formula

C₁₂H₂₈N₆

SMILES

C(CCCCCN=C(N)N)CCCCN=C(N)N

InChI

InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)

InChIKey

OZZMUVKANAPKGI-UHFFFAOYSA-N

Compound name

2-[10-(diaminomethylideneamino)decyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 30
References: 111
Patents: 256.23755 Da
Monoisotopic Mass: 0.7
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]+	257.24483	165.0
[M+Na]+	279.22677	166.8
[M+NH4]+	274.27137	169.3
[M+K]+	295.20071	162.8
[M-H]-	255.23027	166.0
[M+Na-2H]-	277.21222	164.9
[M]+	256.23700	164.5
[M]-	256.23810	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe