CID 607593

1,2-5,6-dipyrazinocyclooctane

Structural Information

Molecular Formula
C12H12N4
SMILES
C1CC2=NC=CN=C2CCC3=NC=CN=C31
InChI
InChI=1S/C12H12N4/c1-2-10-12(16-8-7-14-10)4-3-11-9(1)13-5-6-15-11/h5-8H,1-4H2
InChIKey
BGFCUEHSDKZNTH-UHFFFAOYSA-N
Compound name
5,8,13,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 151.7
[M+Na]+ 235.095418 157.3
[M-H]- 211.098924 151.8
[M+NH4]+ 230.140023 158.5
[M+K]+ 251.069358 156.1
[M+H-H2O]+ 195.103460 146.2
[M+HCOO]- 257.104401 158.8
[M+CH3COO]- 271.120051 156.1
[M+Na-2H]- 233.080866 154.6
[M]+ 212.10565142 150.7
[M]- 212.10674858 150.7
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

No patent data available for this compound.