CID 9819173

(4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid

Structural Information

Molecular Formula
C6H9NO4S
SMILES
CC1(N[C@@H](CS1)C(=O)O)C(=O)O
InChI
InChI=1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6?/m0/s1
InChIKey
JCAKCGQZNBEITC-FWRGRRDFSA-N
Compound name
(4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

191.02522 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.032496 138.9
[M+Na]+ 214.014438 145.6
[M-H]- 190.017944 137.2
[M+NH4]+ 209.059043 158.9
[M+K]+ 229.988378 143.5
[M+H-H2O]+ 174.022480 135.2
[M+HCOO]- 236.023421 150.3
[M+CH3COO]- 250.039071 171.0
[M+Na-2H]- 211.999886 138.6
[M]+ 191.02467142 136.7
[M]- 191.02576858 136.7
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