CID 137963748

2225141-42-2

Structural Information

Molecular Formula
C11H19NO4S
SMILES
CC(C)(C)OC(=O)NC1(CCSC1)CC(=O)O
InChI
InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-11(6-8(13)14)4-5-17-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
WUMYMXHDEIQXET-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiolan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1035 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11078 160.8
[M+Na]+ 284.09272 165.1
[M+NH4]+ 279.13732 167.6
[M+K]+ 300.06666 161.1
[M-H]- 260.09622 158.7
[M+Na-2H]- 282.07817 162.7
[M]+ 261.10295 160.9
[M]- 261.10405 160.9
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

No patent data available for this compound.