CID 2806236

2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)acetic acid

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1CS(=O)(=O)CCN1CC(=O)O
InChI
InChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)
InChIKey
CEABBIBOUBCOPV-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

193.04088 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 136.2
[M+Na]+ 216.03010 143.2
[M-H]- 192.03360 136.8
[M+NH4]+ 211.07470 155.7
[M+K]+ 232.00404 141.8
[M+H-H2O]+ 176.03814 131.3
[M+HCOO]- 238.03908 149.6
[M+CH3COO]- 252.05473 174.6
[M+Na-2H]- 214.01555 139.2
[M]+ 193.04033 135.4
[M]- 193.04143 135.4
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

patents stripe