CID 137929316

2253639-27-7

Structural Information

Molecular Formula
C7H13NO5S
SMILES
COCC1(CCCNS1(=O)=O)C(=O)O
InChI
InChI=1S/C7H13NO5S/c1-13-5-7(6(9)10)3-2-4-8-14(7,11)12/h8H,2-5H2,1H3,(H,9,10)
InChIKey
QGSUWDYKMIMBNW-UHFFFAOYSA-N
Compound name
6-(methoxymethyl)-1,1-dioxothiazinane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05144 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05872 142.7
[M+Na]+ 246.04066 149.5
[M-H]- 222.04416 141.8
[M+NH4]+ 241.08526 162.1
[M+K]+ 262.01460 147.8
[M+H-H2O]+ 206.04870 138.9
[M+HCOO]- 268.04964 154.4
[M+CH3COO]- 282.06529 177.2
[M+Na-2H]- 244.02611 146.7
[M]+ 223.05089 142.5
[M]- 223.05199 142.5
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.