CID 155821716

2445785-66-8

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CC1(CS(=O)(=O)CCO1)CN
InChI
InChI=1S/C6H13NO3S/c1-6(4-7)5-11(8,9)3-2-10-6/h2-5,7H2,1H3
InChIKey
GYVQUXAMVXMBLP-UHFFFAOYSA-N
Compound name
(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06161 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.068886 131.4
[M+Na]+ 202.050828 139.1
[M-H]- 178.054334 135.2
[M+NH4]+ 197.095433 153.9
[M+K]+ 218.024768 139.0
[M+H-H2O]+ 162.058870 127.7
[M+HCOO]- 224.059811 147.7
[M+CH3COO]- 238.075461 176.4
[M+Na-2H]- 200.036276 137.8
[M]+ 179.06106142 131.1
[M]- 179.06215858 131.1
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.