CID 71755714

1384431-33-7

Structural Information

Molecular Formula
C9H17NO2S
SMILES
C1CCC2(CC1)CNCCS2(=O)=O
InChI
InChI=1S/C9H17NO2S/c11-13(12)7-6-10-8-9(13)4-2-1-3-5-9/h10H,1-8H2
InChIKey
YOMJMEVABFAKSW-UHFFFAOYSA-N
Compound name
1lambda6-thia-4-azaspiro[5.5]undecane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 143.3
[M+Na]+ 226.08722 148.5
[M-H]- 202.09072 145.1
[M+NH4]+ 221.13182 164.5
[M+K]+ 242.06116 145.7
[M+H-H2O]+ 186.09526 137.8
[M+HCOO]- 248.09620 153.5
[M+CH3COO]- 262.11185 175.2
[M+Na-2H]- 224.07267 147.8
[M]+ 203.09745 136.2
[M]- 203.09855 136.2
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.