CID 2756831

128453-98-5

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CC(C)(C)OC(=O)N1CCSCC1C(=O)O
InChI
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-4-5-16-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
CTDIKDIZNAGMFK-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
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 155.2
[M+Na]+ 270.07705 159.8
[M-H]- 246.08055 155.4
[M+NH4]+ 265.12165 170.9
[M+K]+ 286.05099 158.8
[M+H-H2O]+ 230.08509 149.5
[M+HCOO]- 292.08603 164.8
[M+CH3COO]- 306.10168 187.0
[M+Na-2H]- 268.06250 154.8
[M]+ 247.08728 154.9
[M]- 247.08838 154.9
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

patents stripe