CID 2786994

55234-18-9

Structural Information

Molecular Formula
C7H11NO3S
SMILES
CC1(N(C(CS1)C(=O)O)C=O)C
InChI
InChI=1S/C7H11NO3S/c1-7(2)8(4-9)5(3-12-7)6(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKey
LPVHVQFTYXQKAP-UHFFFAOYSA-N
Compound name
3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

189.04596 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.053236 137.6
[M+Na]+ 212.035178 146.1
[M-H]- 188.038684 138.9
[M+NH4]+ 207.079783 159.7
[M+K]+ 228.009118 144.6
[M+H-H2O]+ 172.043220 133.6
[M+HCOO]- 234.044161 152.5
[M+CH3COO]- 248.059811 177.0
[M+Na-2H]- 210.020626 138.0
[M]+ 189.04541142 139.0
[M]- 189.04650858 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe