CID 9569751

100757-52-6

Structural Information

Molecular Formula
C7H16N8
SMILES
CCC/C(=N\N=C(N)N)/C=N/N=C(N)N
InChI
InChI=1S/C7H16N8/c1-2-3-5(13-15-7(10)11)4-12-14-6(8)9/h4H,2-3H2,1H3,(H4,8,9,14)(H4,10,11,15)/b12-4+,13-5+
InChIKey
COBSXIJUCJBRNZ-QGVJZHQLSA-N
Compound name
2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)pentan-2-ylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.1498 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15708 146.1
[M+Na]+ 235.13902 148.6
[M-H]- 211.14252 149.9
[M+NH4]+ 230.18362 163.3
[M+K]+ 251.11296 150.3
[M+H-H2O]+ 195.14706 136.7
[M+HCOO]- 257.14800 178.3
[M+CH3COO]- 271.16365 215.5
[M+Na-2H]- 233.12447 148.6
[M]+ 212.14925 139.8
[M]- 212.15035 139.8
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.