CID 2060878

4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CCC2=C(C1)C=C(S2)C(=O)NN
InChI
InChI=1S/C9H12N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h5H,1-4,10H2,(H,11,12)
InChIKey
SDFUELDJXIFNSG-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 139.6
[M+Na]+ 219.056248 145.9
[M-H]- 195.059754 143.3
[M+NH4]+ 214.100853 161.4
[M+K]+ 235.030188 142.9
[M+H-H2O]+ 179.064290 134.1
[M+HCOO]- 241.065231 157.4
[M+CH3COO]- 255.080881 184.8
[M+Na-2H]- 217.041696 142.0
[M]+ 196.06648142 136.7
[M]- 196.06757858 136.7
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