CID 71755760

1384429-47-3

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1CS(=O)(=O)CC(N1)CC(=O)O
InChI
InChI=1S/C6H11NO4S/c8-6(9)3-5-4-12(10,11)2-1-7-5/h5,7H,1-4H2,(H,8,9)
InChIKey
PCUGNWPHLMMPCS-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.048156 137.0
[M+Na]+ 216.030098 143.6
[M-H]- 192.033604 136.2
[M+NH4]+ 211.074703 155.8
[M+K]+ 232.004038 141.2
[M+H-H2O]+ 176.038140 132.4
[M+HCOO]- 238.039081 148.9
[M+CH3COO]- 252.054731 172.1
[M+Na-2H]- 214.015546 139.5
[M]+ 193.04033142 134.4
[M]- 193.04142858 134.4
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.