CID 146681096

Chebi:156133

Structural Information

Molecular Formula
C5H7NO2S
SMILES
C1CSC=N[C@@H]1C(=O)O
InChI
InChI=1S/C5H7NO2S/c7-5(8)4-1-2-9-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1
InChIKey
PACJZQMVWCEFSY-BYPYZUCNSA-N
Compound name
(4S)-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.01974 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 126.4
[M+Na]+ 168.00896 133.1
[M-H]- 144.01246 127.2
[M+NH4]+ 163.05356 146.0
[M+K]+ 183.98290 131.5
[M+H-H2O]+ 128.01700 120.7
[M+HCOO]- 190.01794 140.9
[M+CH3COO]- 204.03359 167.8
[M+Na-2H]- 165.99441 129.7
[M]+ 145.01919 124.4
[M]- 145.02029 124.4
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.