CID 688405

(4r)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H15NO4S
SMILES
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKey
FJWNZTPXVSWUKF-LURJTMIESA-N
Compound name
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

550
Patents

233.07217 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07945 153.0
[M+Na]+ 256.06139 159.2
[M-H]- 232.06489 153.9
[M+NH4]+ 251.10599 171.2
[M+K]+ 272.03533 158.4
[M+H-H2O]+ 216.06943 148.0
[M+HCOO]- 278.07037 165.1
[M+CH3COO]- 292.08602 183.5
[M+Na-2H]- 254.04684 151.6
[M]+ 233.07162 154.5
[M]- 233.07272 154.5
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