CID 67336357

Tetradecahydro-4,7-phenanthroline

Structural Information

Molecular Formula
C12H22N2
SMILES
C1CC2C3CCCNC3CCC2NC1
InChI
InChI=1S/C12H22N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h9-14H,1-8H2
InChIKey
SAJIWHKJMCWNFA-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydro-4,7-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

194.1783 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.18558 147.0
[M+Na]+ 217.16752 148.8
[M-H]- 193.17102 144.2
[M+NH4]+ 212.21212 163.6
[M+K]+ 233.14146 143.8
[M+H-H2O]+ 177.17556 139.0
[M+HCOO]- 239.17650 154.3
[M+CH3COO]- 253.19215 154.8
[M+Na-2H]- 215.15297 150.9
[M]+ 194.17775 133.0
[M]- 194.17885 133.0
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