CID 204977

17153-27-4

Structural Information

Molecular Formula
C7H13NO4S
SMILES
CCC(C1CCS(=O)(=O)C1)[N+](=O)[O-]
InChI
InChI=1S/C7H13NO4S/c1-2-7(8(9)10)6-3-4-13(11,12)5-6/h6-7H,2-5H2,1H3
InChIKey
AUNLMUKUEBYECH-UHFFFAOYSA-N
Compound name
3-(1-nitropropyl)thiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 142.3
[M+Na]+ 230.045748 148.8
[M-H]- 206.049254 145.8
[M+NH4]+ 225.090353 164.2
[M+K]+ 246.019688 143.7
[M+H-H2O]+ 190.053790 142.7
[M+HCOO]- 252.054731 160.6
[M+CH3COO]- 266.070381 174.8
[M+Na-2H]- 228.031196 145.4
[M]+ 207.05598142 141.4
[M]- 207.05707858 141.4
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.