CID 137935758

2253638-57-0

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C=CCC1CCCNS1(=O)=O
InChI
InChI=1S/C7H13NO2S/c1-2-4-7-5-3-6-8-11(7,9)10/h2,7-8H,1,3-6H2
InChIKey
IGZHJYHXYDKAHQ-UHFFFAOYSA-N
Compound name
6-prop-2-enylthiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 134.3
[M+Na]+ 198.05592 141.6
[M-H]- 174.05942 134.9
[M+NH4]+ 193.10052 154.9
[M+K]+ 214.02986 138.4
[M+H-H2O]+ 158.06396 129.5
[M+HCOO]- 220.06490 148.1
[M+CH3COO]- 234.08055 172.5
[M+Na-2H]- 196.04137 137.5
[M]+ 175.06615 131.6
[M]- 175.06725 131.6
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.