CID 82606014

1510951-43-5

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1COCC2=NC(=C(C=C21)C#N)Cl
InChI
InChI=1S/C9H7ClN2O/c10-9-7(4-11)3-6-1-2-13-5-8(6)12-9/h3H,1-2,5H2
InChIKey
QSPVYSJLJNJESN-UHFFFAOYSA-N
Compound name
2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02469 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 135.8
[M+Na]+ 217.01391 147.7
[M-H]- 193.01741 138.5
[M+NH4]+ 212.05851 152.8
[M+K]+ 232.98785 142.7
[M+H-H2O]+ 177.02195 123.4
[M+HCOO]- 239.02289 148.0
[M+CH3COO]- 253.03854 147.8
[M+Na-2H]- 214.99936 143.6
[M]+ 194.02414 131.7
[M]- 194.02524 131.7
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.