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]+ 209.047616 140.5
[M+Na]+ 231.029558 154.8
[M-H]- 207.033064 144.2
[M+NH4]+ 226.074163 160.9
[M+K]+ 247.003498 149.0
[M+H-H2O]+ 191.037600 129.1
[M+HCOO]- 253.038541 154.4
[M+CH3COO]- 267.054191 153.5
[M+Na-2H]- 229.015006 146.8
[M]+ 208.03979142 139.2
[M]- 208.04088858 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.