CID 84070564

4-chloro-5h,7h,8h-pyrano[4,3-b]pyridine

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1COCC2=C(C=CN=C21)Cl
InChI
InChI=1S/C8H8ClNO/c9-7-1-3-10-8-2-4-11-5-6(7)8/h1,3H,2,4-5H2
InChIKey
HWTIGFBKVOBSHE-UHFFFAOYSA-N
Compound name
4-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.02943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 130.1
[M+Na]+ 192.018648 139.1
[M-H]- 168.022154 133.5
[M+NH4]+ 187.063253 149.8
[M+K]+ 207.992588 136.7
[M+H-H2O]+ 152.026690 124.3
[M+HCOO]- 214.027631 145.4
[M+CH3COO]- 228.043281 143.7
[M+Na-2H]- 190.004096 139.7
[M]+ 169.02888142 130.4
[M]- 169.02997858 130.4
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.