CID 154828512

2137796-84-8

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CCN1CCC2=C(C1)C(=CC(=N2)Cl)CO
InChI
InChI=1S/C11H15ClN2O/c1-2-14-4-3-10-9(6-14)8(7-15)5-11(12)13-10/h5,15H,2-4,6-7H2,1H3
InChIKey
QCWONCPNNPSDLM-UHFFFAOYSA-N
Compound name
(2-chloro-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0873 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 149.2
[M+Na]+ 249.07652 158.2
[M-H]- 225.08002 149.3
[M+NH4]+ 244.12112 166.4
[M+K]+ 265.05046 153.1
[M+H-H2O]+ 209.08456 142.5
[M+HCOO]- 271.08550 161.5
[M+CH3COO]- 285.10115 187.5
[M+Na-2H]- 247.06197 154.4
[M]+ 226.08675 149.4
[M]- 226.08785 149.4
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.