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

30
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 135.5
[M+Na]+ 182.99874 149.6
[M-H]- 159.00224 139.4
[M+NH4]+ 178.04334 156.7
[M+K]+ 198.97268 144.8
[M+H-H2O]+ 143.00678 123.3
[M+HCOO]- 205.00772 152.5
[M+CH3COO]- 219.02337 149.0
[M+Na-2H]- 180.98419 140.9
[M]+ 160.00897 134.0
[M]- 160.01007 134.0
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