CID 155943358

5-imino-5lambda6-thia-8-azaspiro[3.5]nonan-5-one

Structural Information

Molecular Formula
C7H14N2OS
SMILES
C1CC2(C1)CNCCS2(=N)=O
InChI
InChI=1S/C7H14N2OS/c8-11(10)5-4-9-6-7(11)2-1-3-7/h8-9H,1-6H2
InChIKey
NXGALZBJMVSEDC-UHFFFAOYSA-N
Compound name
5-imino-5lambda6-thia-8-azaspiro[3.5]nonane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08269 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.089966 132.0
[M+Na]+ 197.071908 136.4
[M-H]- 173.075414 134.1
[M+NH4]+ 192.116513 147.5
[M+K]+ 213.045848 136.5
[M+H-H2O]+ 157.079950 121.8
[M+HCOO]- 219.080891 144.4
[M+CH3COO]- 233.096541 177.0
[M+Na-2H]- 195.057356 137.6
[M]+ 174.08214142 134.4
[M]- 174.08323858 134.4
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.