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]+ 204.06889 145.3
[M+Na]+ 226.05083 151.5
[M-H]- 202.05433 146.0
[M+NH4]+ 221.09543 164.5
[M+K]+ 242.02477 150.0
[M+H-H2O]+ 186.05887 139.7
[M+HCOO]- 248.05981 158.9
[M+CH3COO]- 262.07546 179.5
[M+Na-2H]- 224.03628 143.0
[M]+ 203.06106 145.6
[M]- 203.06216 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