CID 66276

Trihydrazinotriazine

Structural Information

Molecular Formula
C3H9N9
SMILES
C1(=NC(=NC(=N1)NN)NN)NN
InChI
InChI=1S/C3H9N9/c4-10-1-7-2(11-5)9-3(8-1)12-6/h4-6H2,(H3,7,8,9,10,11,12)
InChIKey
CZGWDPMDAIPURF-UHFFFAOYSA-N
Compound name
(4,6-dihydrazinyl-1,3,5-triazin-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5313
Patents

171.0981 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10538 129.0
[M+Na]+ 194.08732 136.2
[M-H]- 170.09082 128.8
[M+NH4]+ 189.13192 143.0
[M+K]+ 210.06126 134.2
[M+H-H2O]+ 154.09536 120.0
[M+HCOO]- 216.09630 155.9
[M+CH3COO]- 230.11195 193.7
[M+Na-2H]- 192.07277 138.8
[M]+ 171.09755 122.0
[M]- 171.09865 122.0
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