CID 105527651

1779705-09-7

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)NC1CCS(=O)(=O)C(C1)C(=O)O
InChI
InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-7-4-5-19(16,17)8(6-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
NEDFVEWQTFKLKK-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothiane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10060 160.9
[M+Na]+ 316.08254 165.7
[M-H]- 292.08604 162.3
[M+NH4]+ 311.12714 177.4
[M+K]+ 332.05648 164.8
[M+H-H2O]+ 276.09058 156.6
[M+HCOO]- 338.09152 172.8
[M+CH3COO]- 352.10717 196.2
[M+Na-2H]- 314.06799 162.4
[M]+ 293.09277 162.0
[M]- 293.09387 162.0
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.