CID 4961736

777880-70-3

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CC1CCC2=C(C1)C=C(S2)C(=O)NN
InChI
InChI=1S/C10H14N2OS/c1-6-2-3-8-7(4-6)5-9(14-8)10(13)12-11/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKey
OXNMMXRMVHHCBQ-UHFFFAOYSA-N
Compound name
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

210.08269 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 144.2
[M+Na]+ 233.07191 151.0
[M-H]- 209.07541 148.1
[M+NH4]+ 228.11651 165.8
[M+K]+ 249.04585 147.7
[M+H-H2O]+ 193.07995 138.9
[M+HCOO]- 255.08089 161.7
[M+CH3COO]- 269.09654 189.0
[M+Na-2H]- 231.05736 145.4
[M]+ 210.08214 142.1
[M]- 210.08324 142.1
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.