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

33
Patents

191.02522 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03250 138.9
[M+Na]+ 214.01444 145.6
[M-H]- 190.01794 137.2
[M+NH4]+ 209.05904 158.9
[M+K]+ 229.98838 143.5
[M+H-H2O]+ 174.02248 135.2
[M+HCOO]- 236.02342 150.3
[M+CH3COO]- 250.03907 171.0
[M+Na-2H]- 211.99989 138.6
[M]+ 191.02467 136.7
[M]- 191.02577 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