CID 131297700

7-(aminomethyl)-1-benzothiophene-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H8N2S
SMILES
C1=CC2=C(C(=C1)CN)SC(=C2)C#N
InChI
InChI=1S/C10H8N2S/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4H,5,11H2
InChIKey
MLMTVLVZDYEEGT-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-1-benzothiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04810 136.7
[M+Na]+ 211.03004 149.0
[M+NH4]+ 206.07464 143.3
[M+K]+ 227.00398 138.7
[M-H]- 187.03354 133.0
[M+Na-2H]- 209.01549 140.9
[M]+ 188.04027 137.0
[M]- 188.04137 137.0
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

No patent data available for this compound.