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

16
Patents

129.06122 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 119.6
[M+Na]+ 152.050438 124.8
[M-H]- 128.053944 122.3
[M+NH4]+ 147.095043 137.4
[M+K]+ 168.024378 125.7
[M+H-H2O]+ 112.058480 109.9
[M+HCOO]- 174.059421 133.5
[M+CH3COO]- 188.075071 168.0
[M+Na-2H]- 150.035886 123.4
[M]+ 129.06067142 124.0
[M]- 129.06176858 124.0
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