CID 85172

Refchem:196851

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

242
Patents

250.16544 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17272 167.6
[M+Na]+ 273.15466 171.1
[M-H]- 249.15816 169.2
[M+NH4]+ 268.19926 177.2
[M+K]+ 289.12860 172.7
[M+H-H2O]+ 233.16270 150.6
[M+HCOO]- 295.16364 182.4
[M+CH3COO]- 309.17929 234.8
[M+Na-2H]- 271.14011 167.3
[M]+ 250.16489 156.8
[M]- 250.16599 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe