CID 5386599

Nsc614854

Structural Information

Molecular Formula
C8H18N8
SMILES
CC/C(=N/N=C(N)N)/C(=N\N=C(N)N)/CC
InChI
InChI=1S/C8H18N8/c1-3-5(13-15-7(9)10)6(4-2)14-16-8(11)12/h3-4H2,1-2H3,(H4,9,10,15)(H4,11,12,16)/b13-5-,14-6-
InChIKey
HXWLLFLQUZOBFF-GFIWHYBVSA-N
Compound name
2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)hexan-3-ylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

60
Patents

226.16544 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17272 152.7
[M+Na]+ 249.15466 154.6
[M-H]- 225.15816 156.4
[M+NH4]+ 244.19926 169.3
[M+K]+ 265.12860 156.7
[M+H-H2O]+ 209.16270 143.2
[M+HCOO]- 271.16364 183.6
[M+CH3COO]- 285.17929 219.4
[M+Na-2H]- 247.14011 153.4
[M]+ 226.16489 146.1
[M]- 226.16599 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.