CID 77125

3576-88-3

Structural Information

Molecular Formula
C6H9N11
SMILES
C1(=NC(=NC(=N1)NC2=NC(=NC(=N2)N)N)N)N
InChI
InChI=1S/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17)
InChIKey
YZEZMSPGIPTEBA-UHFFFAOYSA-N
Compound name
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9705
Patents

235.10423 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11151 145.1
[M+Na]+ 258.09345 154.9
[M+NH4]+ 253.13805 148.6
[M+K]+ 274.06739 153.2
[M-H]- 234.09695 147.0
[M+Na-2H]- 256.07890 151.7
[M]+ 235.10368 146.3
[M]- 235.10478 146.3
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

patents stripe