CID 13193877

1h,2h,3h,4h,6h,7h,8h,9h-cyclohexa[b]1,6-naphthyridine dihydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CCC2=NC3=C(CNCC3)C=C2C1
InChI
InChI=1S/C12H16N2/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h7,13H,1-6,8H2
InChIKey
VINQGAUZEYHYPA-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.4
[M+Na]+ 211.12057 146.8
[M-H]- 187.12407 141.3
[M+NH4]+ 206.16517 159.3
[M+K]+ 227.09451 142.0
[M+H-H2O]+ 171.12861 133.3
[M+HCOO]- 233.12955 154.7
[M+CH3COO]- 247.14520 151.7
[M+Na-2H]- 209.10602 149.1
[M]+ 188.13080 133.6
[M]- 188.13190 133.6
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