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]+ 194.048156 135.7
[M+Na]+ 216.030098 143.2
[M-H]- 192.033604 135.2
[M+NH4]+ 211.074703 156.5
[M+K]+ 232.004038 141.2
[M+H-H2O]+ 176.038140 132.3
[M+HCOO]- 238.039081 147.6
[M+CH3COO]- 252.054731 171.9
[M+Na-2H]- 214.015546 139.9
[M]+ 193.04033142 133.7
[M]- 193.04142858 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.