CID 145710595

2279127-15-8

Structural Information

Molecular Formula
C10H17NO6S
SMILES
CC(C)(C)OC(=O)NC(C1CS(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C10H17NO6S/c1-10(2,3)17-9(14)11-7(8(12)13)6-4-18(15,16)5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
ZESHDPYTLLIPHF-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothietan-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07767 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08495 161.5
[M+Na]+ 302.06689 163.4
[M-H]- 278.07039 162.5
[M+NH4]+ 297.11149 171.1
[M+K]+ 318.04083 166.5
[M+H-H2O]+ 262.07493 150.7
[M+HCOO]- 324.07587 172.9
[M+CH3COO]- 338.09152 197.1
[M+Na-2H]- 300.05234 161.2
[M]+ 279.07712 172.5
[M]- 279.07822 172.5
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

No patent data available for this compound.