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]+ 162.10257 133.1
[M+Na]+ 184.08451 141.2
[M-H]- 160.08801 131.2
[M+NH4]+ 179.12911 153.5
[M+K]+ 200.05845 137.2
[M+H-H2O]+ 144.09255 125.5
[M+HCOO]- 206.09349 148.3
[M+CH3COO]- 220.10914 144.9
[M+Na-2H]- 182.06996 141.3
[M]+ 161.09474 129.1
[M]- 161.09584 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.