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]+ 146.027016 126.4
[M+Na]+ 168.008958 133.1
[M-H]- 144.012464 127.2
[M+NH4]+ 163.053563 146.0
[M+K]+ 183.982898 131.5
[M+H-H2O]+ 128.017000 120.7
[M+HCOO]- 190.017941 140.9
[M+CH3COO]- 204.033591 167.8
[M+Na-2H]- 165.994406 129.7
[M]+ 145.01919142 124.4
[M]- 145.02028858 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.