CID 132350725

2137655-27-5

Structural Information

Molecular Formula
C9H11N3
SMILES
C1CN2CC1NC3=C2C=NC=C3
InChI
InChI=1S/C9H11N3/c1-3-10-5-9-8(1)11-7-2-4-12(9)6-7/h1,3,5,7,11H,2,4,6H2
InChIKey
RWPUIZSLQJWUBU-UHFFFAOYSA-N
Compound name
1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.09529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 133.1
[M+Na]+ 184.084508 141.2
[M-H]- 160.088014 131.2
[M+NH4]+ 179.129113 153.5
[M+K]+ 200.058448 137.2
[M+H-H2O]+ 144.092550 125.5
[M+HCOO]- 206.093491 148.3
[M+CH3COO]- 220.109141 144.9
[M+Na-2H]- 182.069956 141.3
[M]+ 161.09474142 129.1
[M]- 161.09583858 129.1
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.