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]+ 197.07431 139.6
[M+Na]+ 219.05625 145.9
[M-H]- 195.05975 143.3
[M+NH4]+ 214.10085 161.4
[M+K]+ 235.03019 142.9
[M+H-H2O]+ 179.06429 134.1
[M+HCOO]- 241.06523 157.4
[M+CH3COO]- 255.08088 184.8
[M+Na-2H]- 217.04170 142.0
[M]+ 196.06648 136.7
[M]- 196.06758 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