CID 213866

Brn 0957992

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CNC2=CC=CC3=C2N(C1)C=C3
InChI
InChI=1S/C11H12N2/c1-3-9-5-8-13-7-2-6-12-10(4-1)11(9)13/h1,3-5,8,12H,2,6-7H2
InChIKey
JTIUNDJPUKNFER-UHFFFAOYSA-N
Compound name
1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 134.9
[M+Na]+ 195.089268 143.0
[M-H]- 171.092774 137.4
[M+NH4]+ 190.133873 155.1
[M+K]+ 211.063208 141.4
[M+H-H2O]+ 155.097310 128.7
[M+HCOO]- 217.098251 153.6
[M+CH3COO]- 231.113901 147.4
[M+Na-2H]- 193.074716 143.2
[M]+ 172.09950142 131.1
[M]- 172.10059858 131.1
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

patents stripe