CID 17978710

3-butanoyl-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CCCC(=O)N1CSCC1C(=O)O
InChI
InChI=1S/C8H13NO3S/c1-2-3-7(10)9-5-13-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKey
MFGCZLZGUBTUTK-UHFFFAOYSA-N
Compound name
3-butanoyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.06161 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.068886 145.3
[M+Na]+ 226.050828 151.5
[M-H]- 202.054334 146.0
[M+NH4]+ 221.095433 164.5
[M+K]+ 242.024768 150.0
[M+H-H2O]+ 186.058870 139.7
[M+HCOO]- 248.059811 158.9
[M+CH3COO]- 262.075461 179.5
[M+Na-2H]- 224.036276 143.0
[M]+ 203.06106142 145.6
[M]- 203.06215858 145.6
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