CID 58516768

5-chloro-1,2,3,4-tetrahydro-1,8-naphthyridine

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CC2=C(C=CN=C2NC1)Cl
InChI
InChI=1S/C8H9ClN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h3,5H,1-2,4H2,(H,10,11)
InChIKey
DRWCZXDPDAMGQK-UHFFFAOYSA-N
Compound name
5-chloro-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

168.04543 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 132.0
[M+Na]+ 191.034648 140.6
[M-H]- 167.038154 131.8
[M+NH4]+ 186.079253 151.0
[M+K]+ 207.008588 135.6
[M+H-H2O]+ 151.042690 125.6
[M+HCOO]- 213.043631 145.1
[M+CH3COO]- 227.059281 144.2
[M+Na-2H]- 189.020096 140.4
[M]+ 168.04488142 128.9
[M]- 168.04597858 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