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 146.6
[M+Na]+ 211.03004 160.0
[M-H]- 187.03354 151.5
[M+NH4]+ 206.07464 167.7
[M+K]+ 227.00398 154.2
[M+H-H2O]+ 171.03808 135.0
[M+HCOO]- 233.03902 164.5
[M+CH3COO]- 247.05467 159.5
[M+Na-2H]- 209.01549 150.1
[M]+ 188.04027 144.2
[M]- 188.04137 144.2
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.