CID 71307506

1335053-26-3

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CNCC2=CN=C(C=C21)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-3-6-1-2-10-4-7(6)5-11-8/h3,5,10H,1-2,4H2
InChIKey
ILZWVKZOOVYENC-UHFFFAOYSA-N
Compound name
6-chloro-1,2,3,4-tetrahydro-2,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

168.04543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05271 132.0
[M+Na]+ 191.03465 140.6
[M-H]- 167.03815 131.8
[M+NH4]+ 186.07925 151.0
[M+K]+ 207.00859 135.6
[M+H-H2O]+ 151.04269 125.6
[M+HCOO]- 213.04363 145.1
[M+CH3COO]- 227.05928 144.2
[M+Na-2H]- 189.02010 140.4
[M]+ 168.04488 128.9
[M]- 168.04598 128.9
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