CID 112926

62708-53-6

Structural Information

Molecular Formula
C6H16N10
SMILES
C(CN=C(N)N=C(N)N)N=C(N)N=C(N)N
InChI
InChI=1S/C6H16N10/c7-3(8)15-5(11)13-1-2-14-6(12)16-4(9)10/h1-2H2,(H6,7,8,11,13,15)(H6,9,10,12,14,16)
InChIKey
UKKLLWZIENSJBD-UHFFFAOYSA-N
Compound name
2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethyl]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

228.15594 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16322 146.3
[M+Na]+ 251.14516 147.8
[M-H]- 227.14866 149.5
[M+NH4]+ 246.18976 161.5
[M+K]+ 267.11910 150.6
[M+H-H2O]+ 211.15320 136.0
[M+HCOO]- 273.15414 178.1
[M+CH3COO]- 287.16979 222.5
[M+Na-2H]- 249.13061 146.9
[M]+ 228.15539 135.6
[M]- 228.15649 135.6
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