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]+ 180.06889 131.4
[M+Na]+ 202.05083 139.1
[M-H]- 178.05433 135.2
[M+NH4]+ 197.09543 153.9
[M+K]+ 218.02477 139.0
[M+H-H2O]+ 162.05887 127.7
[M+HCOO]- 224.05981 147.7
[M+CH3COO]- 238.07546 176.4
[M+Na-2H]- 200.03628 137.8
[M]+ 179.06106 131.1
[M]- 179.06216 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.