CID 14775612

891192-95-3

Structural Information

Molecular Formula
C9H15NO4S
SMILES
CC(C)(C)OC(=O)N1CCS[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-4-5-15-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKey
HYAXPNDMEODKHI-LURJTMIESA-N
Compound name
(2S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
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 153.6
[M+Na]+ 256.06139 159.8
[M+NH4]+ 251.10599 159.1
[M+K]+ 272.03533 157.8
[M-H]- 232.06489 150.8
[M+Na-2H]- 254.04684 153.6
[M]+ 233.07162 153.7
[M]- 233.07272 153.7
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