CID 139026811

2361644-36-0

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CC12CCCCN1S(=O)(=O)CC2=O
InChI
InChI=1S/C8H13NO3S/c1-8-4-2-3-5-9(8)13(11,12)6-7(8)10/h2-6H2,1H3
InChIKey
ZGXOVDNNOCZELP-UHFFFAOYSA-N
Compound name
3a-methyl-1,1-dioxo-4,5,6,7-tetrahydro-[1,2]thiazolo[2,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06161 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06889 143.6
[M+Na]+ 226.05083 152.7
[M+NH4]+ 221.09543 154.4
[M+K]+ 242.02477 143.9
[M-H]- 202.05433 143.5
[M+Na-2H]- 224.03628 148.4
[M]+ 203.06106 145.3
[M]- 203.06216 145.3
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

No patent data available for this compound.