CID 124249445

2704436-30-4

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CCNC2(C1)CS(=O)(=O)C2
InChI
InChI=1S/C7H13NO2S/c9-11(10)5-7(6-11)3-1-2-4-8-7/h8H,1-6H2
InChIKey
WKBMDFLIUZXMJB-UHFFFAOYSA-N
Compound name
2lambda6-thia-5-azaspiro[3.5]nonane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.073976 130.4
[M+Na]+ 198.055918 135.7
[M-H]- 174.059424 132.8
[M+NH4]+ 193.100523 146.3
[M+K]+ 214.029858 136.3
[M+H-H2O]+ 158.063960 120.8
[M+HCOO]- 220.064901 142.3
[M+CH3COO]- 234.080551 174.3
[M+Na-2H]- 196.041366 135.8
[M]+ 175.06615142 135.0
[M]- 175.06724858 135.0
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.