CID 206807

28740-72-9

Structural Information

Molecular Formula
C11H10N2
SMILES
C1CN2C=CC3=C2C(=CC=C3)C=N1
InChI
InChI=1S/C11H10N2/c1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13/h1-4,6,8H,5,7H2
InChIKey
OTPGTNWGTHRYKW-UHFFFAOYSA-N
Compound name
1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

170.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 133.2
[M+Na]+ 193.073618 142.7
[M-H]- 169.077124 137.4
[M+NH4]+ 188.118223 154.2
[M+K]+ 209.047558 141.8
[M+H-H2O]+ 153.081660 126.9
[M+HCOO]- 215.082601 154.7
[M+CH3COO]- 229.098251 146.9
[M+Na-2H]- 191.059066 142.9
[M]+ 170.08385142 132.5
[M]- 170.08494858 132.5
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