CID 213867

27158-93-6

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CN2C=CC3=C2C(=CC=C3)CN1
InChI
InChI=1S/C11H12N2/c1-2-9-4-6-13-7-5-12-8-10(3-1)11(9)13/h1-4,6,12H,5,7-8H2
InChIKey
SCHWVSIGGZUEGI-UHFFFAOYSA-N
Compound name
1,10-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

16
Patents

172.10005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 132.0
[M+Na]+ 195.08927 143.6
[M+NH4]+ 190.13387 141.1
[M+K]+ 211.06321 139.6
[M-H]- 171.09277 133.5
[M+Na-2H]- 193.07472 138.0
[M]+ 172.09950 134.1
[M]- 172.10060 134.1
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