CID 485531

4,6-diamino-3,5-diazatricyclo-[7.2.1.0]undeca-2,4,6-triene

Structural Information

Molecular Formula
C10H14N4
SMILES
C1CC2CC1CC3=C2N=C(N=C3N)N
InChI
InChI=1S/C10H14N4/c11-9-7-4-5-1-2-6(3-5)8(7)13-10(12)14-9/h5-6H,1-4H2,(H4,11,12,13,14)
InChIKey
VCTHKXFIPXMJSQ-UHFFFAOYSA-N
Compound name
3,5-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12184 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12912 139.1
[M+Na]+ 213.11106 147.4
[M-H]- 189.11456 139.6
[M+NH4]+ 208.15566 159.9
[M+K]+ 229.08500 143.3
[M+H-H2O]+ 173.11910 132.3
[M+HCOO]- 235.12004 157.6
[M+CH3COO]- 249.13569 151.1
[M+Na-2H]- 211.09651 145.3
[M]+ 190.12129 134.5
[M]- 190.12239 134.5
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.