CID 130773165

2-chloro-7,7-dimethyl-5h,7h-furo[3,4-b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1(C2=NC(=C(C=C2CO1)C#N)Cl)C
InChI
InChI=1S/C10H9ClN2O/c1-10(2)8-7(5-14-10)3-6(4-12)9(11)13-8/h3H,5H2,1-2H3
InChIKey
QSPACLUVDBOXSR-UHFFFAOYSA-N
Compound name
2-chloro-7,7-dimethyl-5H-furo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 138.9
[M+Na]+ 231.02956 152.4
[M+NH4]+ 226.07416 145.9
[M+K]+ 247.00350 142.7
[M-H]- 207.03306 134.6
[M+Na-2H]- 229.01501 143.0
[M]+ 208.03979 139.3
[M]- 208.04089 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.