CID 66855463

Thieno[3,2-b]pyridine-7-carbonitrile

Structural Information

Molecular Formula
C8H4N2S
SMILES
C1=CN=C2C=CSC2=C1C#N
InChI
InChI=1S/C8H4N2S/c9-5-6-1-3-10-7-2-4-11-8(6)7/h1-4H
InChIKey
YSTMLMGSZZBOKL-UHFFFAOYSA-N
Compound name
thieno[3,2-b]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

160.00952 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01680 128.4
[M+Na]+ 182.99874 142.1
[M+NH4]+ 178.04334 135.2
[M+K]+ 198.97268 131.7
[M-H]- 159.00224 124.0
[M+Na-2H]- 180.98419 133.5
[M]+ 160.00897 128.8
[M]- 160.01007 128.8
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