CID 63156497

1803582-31-1

Structural Information

Molecular Formula
C9H17NO2S
SMILES
C1CNCCC12CCS(=O)(=O)CC2
InChI
InChI=1S/C9H17NO2S/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9/h10H,1-8H2
InChIKey
ZZMAUHMFQOKMRO-UHFFFAOYSA-N
Compound name
3lambda6-thia-9-azaspiro[5.5]undecane 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.098 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.105276 143.3
[M+Na]+ 226.087218 148.5
[M-H]- 202.090724 145.1
[M+NH4]+ 221.131823 164.5
[M+K]+ 242.061158 145.7
[M+H-H2O]+ 186.095260 137.8
[M+HCOO]- 248.096201 153.5
[M+CH3COO]- 262.111851 175.2
[M+Na-2H]- 224.072666 147.8
[M]+ 203.09745142 136.2
[M]- 203.09854858 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

patents stripe