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]+ 172.11545 138.5
[M+Na]+ 194.09739 143.9
[M-H]- 170.10089 140.6
[M+NH4]+ 189.14199 161.3
[M+K]+ 210.07133 141.0
[M+H-H2O]+ 154.10543 133.1
[M+HCOO]- 216.10637 150.3
[M+CH3COO]- 230.12202 150.0
[M+Na-2H]- 192.08284 139.7
[M]+ 171.10762 131.8
[M]- 171.10872 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.