CID 13132346

Tizabrin

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C[C@@H]1C[S@@](=O)C([C@@H](N1)C(=O)O)(C)C
InChI
InChI=1S/C8H15NO3S/c1-5-4-13(12)8(2,3)6(9-5)7(10)11/h5-6,9H,4H2,1-3H3,(H,10,11)/t5-,6+,13-/m1/s1
InChIKey
GBNFAIIPJQPAHF-KATQCZMTSA-N
Compound name
(1R,3S,5R)-2,2,5-trimethyl-1-oxo-1,4-thiazinane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

205.07727 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.084546 141.2
[M+Na]+ 228.066488 148.6
[M-H]- 204.069994 140.8
[M+NH4]+ 223.111093 160.3
[M+K]+ 244.040428 145.9
[M+H-H2O]+ 188.074530 137.1
[M+HCOO]- 250.075471 152.0
[M+CH3COO]- 264.091121 179.2
[M+Na-2H]- 226.051936 141.4
[M]+ 205.07672142 139.3
[M]- 205.07781858 139.3
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