CID 485533

4,6-diamino-3,5-diaza-10,10-dimethyltricyclo[7.1.1.0]-undeca-2,4,6-triene

Structural Information

Molecular Formula
C11H16N4
SMILES
CC1(C2CC1C3=C(C2)C(=NC(=N3)N)N)C
InChI
InChI=1S/C11H16N4/c1-11(2)5-3-6-8(7(11)4-5)14-10(13)15-9(6)12/h5,7H,3-4H2,1-2H3,(H4,12,13,14,15)
InChIKey
DBGGNUJKHLYFBF-UHFFFAOYSA-N
Compound name
10,10-dimethyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14478 160.7
[M+Na]+ 227.12672 168.0
[M-H]- 203.13022 159.5
[M+NH4]+ 222.17132 176.5
[M+K]+ 243.10066 167.8
[M+H-H2O]+ 187.13476 148.7
[M+HCOO]- 249.13570 173.6
[M+CH3COO]- 263.15135 170.5
[M+Na-2H]- 225.11217 168.9
[M]+ 204.13695 169.6
[M]- 204.13805 169.6
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.