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 130.6
[M+Na]+ 178.02970 138.9
[M-H]- 154.03320 130.9
[M+NH4]+ 173.07430 153.9
[M+K]+ 194.00364 135.5
[M+H-H2O]+ 138.03774 126.5
[M+HCOO]- 200.03868 143.1
[M+CH3COO]- 214.05433 143.3
[M+Na-2H]- 176.01515 132.7
[M]+ 155.03993 127.7
[M]- 155.04103 127.7
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