CID 72716690

2044745-49-3

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CC2C3=C(CC1N2)NN=C3
InChI
InChI=1S/C8H11N3/c1-2-7-6-4-9-11-8(6)3-5(1)10-7/h4-5,7,10H,1-3H2,(H,9,11)
InChIKey
JJOHBLREPXKCGS-UHFFFAOYSA-N
Compound name
4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

149.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 131.4
[M+Na]+ 172.084508 139.5
[M-H]- 148.088014 128.6
[M+NH4]+ 167.129113 153.5
[M+K]+ 188.058448 135.4
[M+H-H2O]+ 132.092550 124.9
[M+HCOO]- 194.093491 146.3
[M+CH3COO]- 208.109141 143.1
[M+Na-2H]- 170.069956 136.7
[M]+ 149.09474142 126.3
[M]- 149.09583858 126.3
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