CID 3833746

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

Structural Information

Molecular Formula
C13H20N2OS
SMILES
CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NN
InChI
InChI=1S/C13H20N2OS/c1-13(2,3)9-4-5-10-8(6-9)7-11(17-10)12(16)15-14/h7,9H,4-6,14H2,1-3H3,(H,15,16)
InChIKey
ZDLDYLFPNXWQJY-UHFFFAOYSA-N
Compound name
5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12964 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13692 158.5
[M+Na]+ 275.11886 165.8
[M+NH4]+ 270.16346 166.8
[M+K]+ 291.09280 160.9
[M-H]- 251.12236 160.5
[M+Na-2H]- 273.10431 161.0
[M]+ 252.12909 160.3
[M]- 252.13019 160.3
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

No patent data available for this compound.