CID 521719

1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8-tetraene

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CCN2C(=NC3=CC=CC=C32)C1
InChI
InChI=1S/C11H12N2/c1-2-6-10-9(5-1)12-11-7-3-4-8-13(10)11/h1-2,5-6H,3-4,7-8H2
InChIKey
QHDDBWGHEWTMDV-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

172.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 134.4
[M+Na]+ 195.08927 143.8
[M-H]- 171.09277 137.1
[M+NH4]+ 190.13387 156.0
[M+K]+ 211.06321 139.8
[M+H-H2O]+ 155.09731 126.9
[M+HCOO]- 217.09825 154.8
[M+CH3COO]- 231.11390 147.9
[M+Na-2H]- 193.07472 143.1
[M]+ 172.09950 133.3
[M]- 172.10060 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe