CID 165639026

2742660-81-5

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CC1(CCNCC(S1(=O)=O)(C)C)C
InChI
InChI=1S/C9H19NO2S/c1-8(2)5-6-10-7-9(3,4)13(8,11)12/h10H,5-7H2,1-4H3
InChIKey
ATCWCDFEVVBTAJ-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyl-1,4-thiazepane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11365 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.120926 136.2
[M+Na]+ 228.102868 142.0
[M-H]- 204.106374 138.1
[M+NH4]+ 223.147473 157.7
[M+K]+ 244.076808 143.3
[M+H-H2O]+ 188.110910 131.9
[M+HCOO]- 250.111851 148.1
[M+CH3COO]- 264.127501 182.2
[M+Na-2H]- 226.088316 140.2
[M]+ 205.11310142 132.6
[M]- 205.11419858 132.6
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.