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 161.0
[M+Na]+ 284.09272 165.1
[M-H]- 260.09622 162.4
[M+NH4]+ 279.13732 180.6
[M+K]+ 300.06666 164.1
[M+H-H2O]+ 244.10076 156.8
[M+HCOO]- 306.10170 174.5
[M+CH3COO]- 320.11735 190.2
[M+Na-2H]- 282.07817 161.7
[M]+ 261.10295 161.9
[M]- 261.10405 161.9
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.