CID 129992513

4-sulfanylidene-3-azabicyclo(3.2.1)octan-2-one

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1CC2CC1C(=O)NC2=S
InChI
InChI=1S/C7H9NOS/c9-6-4-1-2-5(3-4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)
InChIKey
UQYHQLIXYZIECA-UHFFFAOYSA-N
Compound name
4-sulfanylidene-3-azabicyclo[3.2.1]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.04048 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 131.8
[M+Na]+ 178.02970 141.3
[M+NH4]+ 173.07430 141.2
[M+K]+ 194.00364 135.2
[M-H]- 154.03320 131.7
[M+Na-2H]- 176.01515 132.8
[M]+ 155.03993 133.3
[M]- 155.04103 133.3
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

patents stripe