CID 73554548

2792186-73-1

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CC2=C(NC1)N=C(C=C2)Cl
InChI
InChI=1S/C8H9ClN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h3-4H,1-2,5H2,(H,10,11)
InChIKey
KGTIRHSHTITULA-UHFFFAOYSA-N
Compound name
7-chloro-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.04543 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe