CID 444754

1-benzothiophene-2-carboximidamide

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC=C2C(=C1)C=C(S2)C(=N)N
InChI
InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)
InChIKey
JZWDLUGQTRKBNA-UHFFFAOYSA-N
Compound name
1-benzothiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

197
Patents

176.04082 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.048096 132.8
[M+Na]+ 199.030038 142.5
[M-H]- 175.033544 137.9
[M+NH4]+ 194.074643 155.9
[M+K]+ 215.003978 138.3
[M+H-H2O]+ 159.038080 127.5
[M+HCOO]- 221.039021 154.8
[M+CH3COO]- 235.054671 147.2
[M+Na-2H]- 197.015486 137.9
[M]+ 176.04027142 133.0
[M]- 176.04136858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe