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

17
Patents

170.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 133.2
[M+Na]+ 193.07362 142.7
[M-H]- 169.07712 137.4
[M+NH4]+ 188.11822 154.2
[M+K]+ 209.04756 141.8
[M+H-H2O]+ 153.08166 126.9
[M+HCOO]- 215.08260 154.7
[M+CH3COO]- 229.09825 146.9
[M+Na-2H]- 191.05907 142.9
[M]+ 170.08385 132.5
[M]- 170.08495 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