CID 61685270

108329-86-8

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CC(C)(C)OC(=O)NC1(CCSC1)C(=O)O
InChI
InChI=1S/C10H17NO4S/c1-9(2,3)15-8(14)11-10(7(12)13)4-5-16-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
BOUVNAQZJMDMLE-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

247.08783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09511 156.7
[M+Na]+ 270.07705 161.2
[M-H]- 246.08055 158.2
[M+NH4]+ 265.12165 176.8
[M+K]+ 286.05099 160.4
[M+H-H2O]+ 230.08509 152.7
[M+HCOO]- 292.08603 170.5
[M+CH3COO]- 306.10168 187.2
[M+Na-2H]- 268.06250 157.8
[M]+ 247.08728 157.2
[M]- 247.08838 157.2
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