CID 61658914

1250840-53-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

194.02469 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 135.8
[M+Na]+ 217.013908 147.7
[M-H]- 193.017414 138.5
[M+NH4]+ 212.058513 152.8
[M+K]+ 232.987848 142.7
[M+H-H2O]+ 177.021950 123.4
[M+HCOO]- 239.022891 148.0
[M+CH3COO]- 253.038541 147.8
[M+Na-2H]- 214.999356 143.6
[M]+ 194.02414142 131.7
[M]- 194.02523858 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

patents stripe