CID 22487626

2-{4-[(tert-butoxy)carbonyl]thiomorpholin-3-yl}acetic acid

Structural Information

Molecular Formula
C11H19NO4S
SMILES
CC(C)(C)OC(=O)N1CCSCC1CC(=O)O
InChI
InChI=1S/C11H19NO4S/c1-11(2,3)16-10(15)12-4-5-17-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
JQLPQAFGOHVEAM-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

261.1035 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11078 160.0
[M+Na]+ 284.09272 166.9
[M+NH4]+ 279.13732 165.5
[M+K]+ 300.06666 162.5
[M-H]- 260.09622 157.9
[M+Na-2H]- 282.07817 160.7
[M]+ 261.10295 160.4
[M]- 261.10405 160.4
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