CID 136575909

2225144-84-1

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CC1(CCCNS1(=O)=O)C(=O)O
InChI
InChI=1S/C6H11NO4S/c1-6(5(8)9)3-2-4-7-12(6,10)11/h7H,2-4H2,1H3,(H,8,9)
InChIKey
ZOVAISMZXSMDNK-UHFFFAOYSA-N
Compound name
6-methyl-1,1-dioxothiazinane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 139.0
[M+Na]+ 216.03010 147.1
[M+NH4]+ 211.07470 147.8
[M+K]+ 232.00404 138.8
[M-H]- 192.03360 137.1
[M+Na-2H]- 214.01555 144.0
[M]+ 193.04033 139.9
[M]- 193.04143 139.9
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.