CID 19823286

3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3S
SMILES
CC(C)(C)C(=O)N1CSCC1C(=O)O
InChI
InChI=1S/C9H15NO3S/c1-9(2,3)8(13)10-5-14-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKey
QBOICUCFKNPNND-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.07727 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08455 149.8
[M+Na]+ 240.06649 156.1
[M-H]- 216.06999 150.7
[M+NH4]+ 235.11109 168.7
[M+K]+ 256.04043 154.8
[M+H-H2O]+ 200.07453 144.9
[M+HCOO]- 262.07547 161.7
[M+CH3COO]- 276.09112 182.1
[M+Na-2H]- 238.05194 148.2
[M]+ 217.07672 150.0
[M]- 217.07782 150.0
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