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

97
Patents

247.08783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.095106 155.2
[M+Na]+ 270.077048 159.8
[M-H]- 246.080554 155.4
[M+NH4]+ 265.121653 170.9
[M+K]+ 286.050988 158.8
[M+H-H2O]+ 230.085090 149.5
[M+HCOO]- 292.086031 164.8
[M+CH3COO]- 306.101681 187.0
[M+Na-2H]- 268.062496 154.8
[M]+ 247.08728142 154.9
[M]- 247.08837858 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