CID 3470425

4h,5h,6h,7h,8h-cyclohepta[b]thiophene-2-carbohydrazide

Structural Information

Molecular Formula
C10H14N2OS
SMILES
C1CCC2=C(CC1)SC(=C2)C(=O)NN
InChI
InChI=1S/C10H14N2OS/c11-12-10(13)9-6-7-4-2-1-3-5-8(7)14-9/h6H,1-5,11H2,(H,12,13)
InChIKey
APDQSPXWVVODJE-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

210.08269 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 145.6
[M+Na]+ 233.07191 149.2
[M-H]- 209.07541 150.3
[M+NH4]+ 228.11651 165.2
[M+K]+ 249.04585 150.5
[M+H-H2O]+ 193.07995 140.1
[M+HCOO]- 255.08089 162.2
[M+CH3COO]- 269.09654 156.6
[M+Na-2H]- 231.05736 146.6
[M]+ 210.08214 139.7
[M]- 210.08324 139.7
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

No patent data available for this compound.