CID 154705287

2289845-01-6

Structural Information

Molecular Formula
C9H15NO6S
SMILES
CC(C)(C)OC(=O)NC1(CS(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C9H15NO6S/c1-8(2,3)16-7(13)10-9(6(11)12)4-17(14,15)5-9/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
CVDHNJLYMWELTI-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothietane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.062 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06928 155.9
[M+Na]+ 288.05122 159.4
[M-H]- 264.05472 157.3
[M+NH4]+ 283.09582 168.2
[M+K]+ 304.02516 162.3
[M+H-H2O]+ 248.05926 147.1
[M+HCOO]- 310.06020 168.6
[M+CH3COO]- 324.07585 193.0
[M+Na-2H]- 286.03667 159.0
[M]+ 265.06145 167.7
[M]- 265.06255 167.7
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.