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]+ 175.08997 132.0
[M+Na]+ 197.07191 136.4
[M-H]- 173.07541 134.1
[M+NH4]+ 192.11651 147.5
[M+K]+ 213.04585 136.5
[M+H-H2O]+ 157.07995 121.8
[M+HCOO]- 219.08089 144.4
[M+CH3COO]- 233.09654 177.0
[M+Na-2H]- 195.05736 137.6
[M]+ 174.08214 134.4
[M]- 174.08324 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.