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 135.7
[M+Na]+ 216.03010 143.2
[M-H]- 192.03360 135.2
[M+NH4]+ 211.07470 156.5
[M+K]+ 232.00404 141.2
[M+H-H2O]+ 176.03814 132.3
[M+HCOO]- 238.03908 147.6
[M+CH3COO]- 252.05473 171.9
[M+Na-2H]- 214.01555 139.9
[M]+ 193.04033 133.7
[M]- 193.04143 133.7
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.