CID 14775612

(s)-3-boc-thiazolidine-2-carboxylic acid

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

384
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

No literature data available for this compound.

Patent stripe

patents stripe