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]+ 262.110776 161.0
[M+Na]+ 284.092718 165.1
[M-H]- 260.096224 162.4
[M+NH4]+ 279.137323 180.6
[M+K]+ 300.066658 164.1
[M+H-H2O]+ 244.100760 156.8
[M+HCOO]- 306.101701 174.5
[M+CH3COO]- 320.117351 190.2
[M+Na-2H]- 282.078166 161.7
[M]+ 261.10295142 161.9
[M]- 261.10404858 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.