CID 1268222

108329-81-3

Structural Information

Molecular Formula
C11H19NO4S
SMILES
CC(C)(C)OC(=O)NC1(CCSCC1)C(=O)O
InChI
InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-11(8(13)14)4-6-17-7-5-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
FTTKMOOFKYOPQD-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

261.1035 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11078 159.0
[M+Na]+ 284.09272 164.4
[M+NH4]+ 279.13732 166.1
[M+K]+ 300.06666 158.5
[M-H]- 260.09622 157.7
[M+Na-2H]- 282.07817 162.0
[M]+ 261.10295 159.6
[M]- 261.10405 159.6
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