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 140.5
[M+Na]+ 231.02956 154.8
[M-H]- 207.03306 144.2
[M+NH4]+ 226.07416 160.9
[M+K]+ 247.00350 149.0
[M+H-H2O]+ 191.03760 129.1
[M+HCOO]- 253.03854 154.4
[M+CH3COO]- 267.05419 153.5
[M+Na-2H]- 229.01501 146.8
[M]+ 208.03979 139.2
[M]- 208.04089 139.2
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.