CID 391404

Nsc690577

Structural Information

Molecular Formula
C7H9N7
SMILES
CN(C)C=NC1=NN=CC2=NNN=C21
InChI
InChI=1S/C7H9N7/c1-14(2)4-8-7-6-5(3-9-12-7)10-13-11-6/h3-4H,1-2H3,(H,10,11,13)
InChIKey
RMDOYEVAYHWPMH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(2H-triazolo[4,5-d]pyridazin-4-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09195 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09923 139.1
[M+Na]+ 214.08117 149.7
[M-H]- 190.08467 139.4
[M+NH4]+ 209.12577 155.0
[M+K]+ 230.05511 147.1
[M+H-H2O]+ 174.08921 129.2
[M+HCOO]- 236.09015 162.5
[M+CH3COO]- 250.10580 151.9
[M+Na-2H]- 212.06662 149.5
[M]+ 191.09140 141.4
[M]- 191.09250 141.4
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.