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

11
Patents

149.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 131.4
[M+Na]+ 172.08451 139.5
[M-H]- 148.08801 128.6
[M+NH4]+ 167.12911 153.5
[M+K]+ 188.05845 135.4
[M+H-H2O]+ 132.09255 124.9
[M+HCOO]- 194.09349 146.3
[M+CH3COO]- 208.10914 143.1
[M+Na-2H]- 170.06996 136.7
[M]+ 149.09474 126.3
[M]- 149.09584 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