CID 82593792

2-thia-6-azaspiro[3.4]octane

Structural Information

Molecular Formula
C6H11NS
SMILES
C1CNCC12CSC2
InChI
InChI=1S/C6H11NS/c1-2-7-3-6(1)4-8-5-6/h7H,1-5H2
InChIKey
DMRTWWSVFHZBFF-UHFFFAOYSA-N
Compound name
2-thia-7-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.06122 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 119.9
[M+Na]+ 152.05044 124.5
[M+NH4]+ 147.09504 127.3
[M+K]+ 168.02438 119.2
[M-H]- 128.05394 119.0
[M+Na-2H]- 150.03589 123.7
[M]+ 129.06067 119.5
[M]- 129.06177 119.5
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