CID 2760619

134676-67-8

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CC(C)(C)OC(=O)N1CCSC(C1)C(=O)O
InChI
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-4-5-16-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
VJGKMSGPYQNGGK-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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 155.8
[M+Na]+ 270.07705 162.9
[M+NH4]+ 265.12165 161.5
[M+K]+ 286.05099 158.8
[M-H]- 246.08055 153.8
[M+Na-2H]- 268.06250 156.8
[M]+ 247.08728 156.3
[M]- 247.08838 156.3
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