CID 208011

31404-04-3

Structural Information

Molecular Formula
C9H17NS
SMILES
CC1CCC2(CC1)NCCS2
InChI
InChI=1S/C9H17NS/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8,10H,2-7H2,1H3
InChIKey
OWSMXZFIYFMBQY-UHFFFAOYSA-N
Compound name
8-methyl-1-thia-4-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 138.5
[M+Na]+ 194.097388 143.9
[M-H]- 170.100894 140.6
[M+NH4]+ 189.141993 161.3
[M+K]+ 210.071328 141.0
[M+H-H2O]+ 154.105430 133.1
[M+HCOO]- 216.106371 150.3
[M+CH3COO]- 230.122021 150.0
[M+Na-2H]- 192.082836 139.7
[M]+ 171.10762142 131.8
[M]- 171.10871858 131.8
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.